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This study presents the development of mixed‐ligand quasi‐2D perovskites ((2‐PEA)x(R/S‐2‐BA)2MA1Cs1Pb3Br10+x, x = 0.8, 1.6, 2.4) for circularly polarized light‐emitting diodes (CP‐LEDs). By utilizing the strong confinement effect of 2‐phenylethylammonium (2‐PEA) and the chirality of R/S‐2‐butylammonium (R/S‐2‐BA), room‐temperature circularly polarized luminescence (CPL) across the green to deep blue spectrum is achieved. The green CPL attributes to the transfer of spin‐polarized excitons while the blue CPL originates from direct excitation of luminescent phases with intrinsic chirality. Finally, green and blue CP‐LEDs under ambient are realized. Notably, standard and deep blue CP‐EL is achieved based on 0.8PEA/(R/S‐2‐BA)‐ and 1.2PEA/(R/S‐2‐BA)‐films with impressive electroluminescent asymmetry factors (0.122 and 0.175), highlighting the potential of chiral perovskites in CP‐LEDs and opening avenues for the development of room‐temperature full‐color CP‐EL display. [ABSTRACT FROM AUTHOR]

Copyright of Baghdad Science Journal is the property of Republic of Iraq Ministry of Higher Education & Scientific Research (MOHESR) and its content may not be copied or emailed to multiple sites or posted to a listserv without the copyright holder's express written permission. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract. (Copyright applies to all Abstracts.)

Copper(II) chloride anionic coordination complexes with different imidazole‐derived ligands due to the potential cytotoxic activity play the important role in protein. By investigating the experimental electron paramagnetic resonance (EPR) and ultraviolet–visible (UV–vis) spectra of [CuCl(C6H10N2)4]Cl, [CuCl(C6H10N2)4]Cl, [CuCl2(C4H6N2)4], and [Cu2Cl2(C5H8N2)6]Cl2·2H2O, the local structure of the corresponding Cu2+ centers and the role of different ligands are obtained. Based on the well‐agreed EPR parameters and the d‐d transitions (10Dq), the four Cu2+ centers show tetragonal and orthorhombic distortion, corresponding to the different anisotropies of EPR signals. In addition, the general rules of governing the impact of methanol in imidazolylalkyl derivatives are also discussed, especially the influence on the local environment (symmetry, distortion, covalency, and crystal field) of above four copper(II) chloride anionic coordination complexes. Therefore, the obtained results in this study will be beneficial to provide a theoretical basis for the experimental design of desired copper‐containing imidazolyl alkyl derivatives. [ABSTRACT FROM AUTHOR]

This report introduces a novel method for fabricating electrocatalysts, where hematite (α-Fe2O3) is interface-functionalized with organic ligands to enhance the oxygen evolution reaction (OER). The synthesized samples feature nanoparticle morphology and crystalline structures consistent with hematite, known for its high stability among iron oxides. Functional groups from benzimidazole (bIm) and caffeine (Caf) act as scaffolds and sources of carbon, hydrogen, oxygen, and nitrogen, promoting metal-support interactions (MSIs) to boost OER activity and aid the formation of hematite nanocrystals. The optimal catalyst, Fe-(bIm)-0.3Caf, is synthesized using a mix of ligands, mainly bIm with 30% Caf substitution. This combination introduces defects in the hematite structure, creating additional active sites and oxygen vacancies, which significantly improve OER performance. Fe-(bIm)-0.3Caf exhibits the lowest overpotential (264 mV at 10 mA cm-2) and the smallest Tafel slope (30 mV dec-1) among all prepared samples and commercial Fe2O3. In contrast, commercial Fe2O3 shows higher overpotential (331 mV at 10 mA cm-2) and lower durability under identical conditions in 1 M KOH over 30 h at room temperature. These findings underscore the importance of surface engineering of hematite nanocrystals to modify the surface and electronic structure, enhancing OER efficiency. This report also outlines a streamlined one-pot hydrothermal process for preparing interface-functionalized hematite nanocrystals at low temperatures, highlighting a promising approach for achieving efficient and durable electrocatalyst performance in driving the OER. The study emphasizes the crucial role of mixed ligands in enhancing OER efficiency in alkaline media. [ABSTRACT FROM AUTHOR]

New compounds series of [M(TMP)(en)]X·nH2O and [M(TMP)(PD)]X·nH2O, where M = Ni2+, Cu2+, Zr4+, Ag+, Cd2+, TMP = trimethoprim, en = ethylenediamine, PD = o-phenylene and X= Cl− or NO3−, were prepared. The compounds were characterized using techniques including melting points, conductance, elemental analysis, FTIR, NMR, and mass spectroscopy. FTIR spectra indicated TMP acted like a bi-dentate ligand, combining via the nitrogen atoms of azomethine and pyrimidine amino groups. Diamine ligands (en or o-PD) are coordinated via two nitrogen atoms. Prepared compounds showed monomeric behavior and adopted a 6-coordinate octahedral geometry based on magnetic susceptibility and UV spectra. Conductivity measurements revealed Zr(IV) compounds were 1:2 conductive, while Ag+ and Cd2+ were 1:1 conductive; Ni2+ and Cu2+ compounds were non-conductive. Antibacterial tests on compounds and ligands against Bacillus subtilis and Staphylococcus aureus demonstrated broad-spectrum antibacterial activity. The mixed metal compounds revealed an observable tendency of antibacterial activity in the order Zr > Cd = Ag > Cu, making Zr(IV) compounds the most biologically active among them against S. aureus (Gram-positive) while the same compounds showed less antibacterial activity against B. subtilis (Gram-negative) than the free ligand.

Sensor arrays based on gold nanoparticle (GNP) films are promising candidates for numerous applications, including medical diagnosis and health monitoring. Their economic fabrication, however, remains challenging. This study presents a facile route to GNP chemiresistors with tunable properties via layer‐by‐layer spin‐coating (LbL‐SC). Key steps involve the alternating deposition of dodecylamine‐stabilized GNPs and mixtures of monothiols (MTs) with 1,9‐nonanedithiol (9DT). The 9DT molecules serve to reinforce the growing film via GNP cross‐linking while the MT ligands are used to tune the interfacial chemistry of the GNP assembly. Hence, by employing differently functionalized MTs the sensors' chemical selectivity can easily be adjusted. Further, by varying the MT‐9DT ratio and adjusting the size of the MT ligands the sensitivity can be tuned along with the conductivity and optical properties of the films. In general, decreasing the 9DT fraction significantly enhances the sensitivity while the response isotherms change from Langmuir‐Henry to Henry type. Finally, the cross‐linked GNP films are robust enough to be patterned via photolithography. Hence, this study demonstrates the fabrication and application of monolithic sensor arrays. Different features of the responses to numerous analytes are used as input data for linear discriminant analyses (LDA), revealing that very similar analytes can be distinguished. [ABSTRACT FROM AUTHOR]

In the current research, we prepared a polymeric framework, {[Cu(C2O4)(C10H8N2)]·H2O·0.67(CH3OH)]}n (1) (where C2O4 = oxalic acid; C10H8N2 = 2,2-bipyridine), and explored this compound for adsorption of methylene blue (MB) and methyl orange (MO). The crystal structure of the compound consists of a Cu(ox)(bpy) unit connected via oxalate to form a 1D polymeric chain. This polymeric chain has adsorption capacities of 194.0 and 167.3 mg/g for MB and MO, respectively. The removal rate is estimated to be 77.6% and 66.9% for MB and MO, respectively. The plausible mechanisms for adsorption are electrostatic, π-π interaction, and OH-π interaction for dye stickiness. The adsorbent surface exhibits a negative charge that produces the electrostatic interaction, resulting in excellent adsorption efficiency at pH 7 and 8. The pseudo-first-order kinetic model is selected for the adsorption of MB and MO on the adsorbent. The reported compound has remarkable efficiency for sorption of organic dyes and can be useful in wastewater treatment. [ABSTRACT FROM AUTHOR]

Chloroquine phosphate with ibuprofen and sulphamethoxazole were used as mixed ligands with Ni(II), Co(II), Cu(II), and Zn(II) to prepare new transition metal complexes. Metal analysis, IR, and X-ray diffraction (XRD) spectrum analyzes were used to describe them, with some modifications to the World Health Organization (WHO) standard susceptibility test under laboratory conditions. The biological effects of ligands and new complexes against Aedes aegypti mosquito larvae were evaluated at various concentrations. To assess larvicidal efficacy, late third or early fourth instar larvae were exposed to multiple concentrations of the examined compounds, ranging from 50 to 1000 ppm. Cu(II) complexes revealed significant high activity (LC50 = 100 ppm against Ae. Aegypti was compared with the rest of the metal complexes. On the other hand, the Co(II) complex showed no activity against Ae. aegypti. These mixed ligand complexes seemed to be an alternative method for manufactured insecticides to control larvae of this medically important mosquito vector Ae. aegypti. Further research on other metal complex compounds responsible for larvicidal efficacy will be required.

Abstract Sensor arrays based on gold nanoparticle (GNP) films are promising candidates for numerous applications, including medical diagnosis and health monitoring. Their economic fabrication, however, remains challenging. This study presents a facile route to GNP chemiresistors with tunable properties via layer‐by‐layer spin‐coating (LbL‐SC). Key steps involve the alternating deposition of dodecylamine‐stabilized GNPs and mixtures of monothiols (MTs) with 1,9‐nonanedithiol (9DT). The 9DT molecules serve to reinforce the growing film via GNP cross‐linking while the MT ligands are used to tune the interfacial chemistry of the GNP assembly. Hence, by employing differently functionalized MTs the sensors' chemical selectivity can easily be adjusted. Further, by varying the MT‐9DT ratio and adjusting the size of the MT ligands the sensitivity can be tuned along with the conductivity and optical properties of the films. In general, decreasing the 9DT fraction significantly enhances the sensitivity while the response isotherms change from Langmuir‐Henry to Henry type. Finally, the cross‐linked GNP films are robust enough to be patterned via photolithography. Hence, this study demonstrates the fabrication and application of monolithic sensor arrays. Different features of the responses to numerous analytes are used as input data for linear discriminant analyses (LDA), revealing that very similar analytes can be distinguished.

A novel series of lanthanide coordination polymers (Ln-CPs) have been obtained based on mixed ligands, 2-[(4-carboxyphenyl)methoxy]benzoic acid (H2cob) and 1,10-phenanthroline (phen), namely {Ln[(Hcob)(cob)(phen)]n, Ln = La (1), Pr (2), Sm (3), Eu (4)}. Complexes 1-4 were characterized by single crystal X-ray diffraction, elemental analysis, powder X-ray diffraction, infrared spectroscopy and thermogravimetric analysis. Single crystal X-ray diffraction revealed that complexes 1-4 show two-dimensional layer structures. The luminescence properties of complexes 3 and 4 were thoroughly investigated. [ABSTRACT FROM AUTHOR]

Copyright of Journal of University of Anbar for Pure Science is the property of Republic of Iraq Ministry of Higher Education & Scientific Research (MOHESR) and its content may not be copied or emailed to multiple sites or posted to a listserv without the copyright holder's express written permission. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract. (Copyright applies to all Abstracts.)

In this paper, a new precursor La(thd)3-DMEA (thd = 2,2,6,6-tetramethyl-3,5-heptanedione, DMEA = N,N′-dimethylethylenediamine) was synthesized and characterized with 1H-NMR and X-ray single crystal diffraction. The thermal properties of La(thd)3-DMEA were checked by thermogravimetric analysis (TGA), which confirmed that the volatility and suitability of La(thd)3-DMEA are suitable for atomic layer deposition (ALD). We studied the atomic layer deposition of La2O3 films on a SiO2 surface with La(thd)3-DMEA and O3 as precursors. Self-limiting deposition behaviors were found for the prepared films. The purity and surface morphology of the as-grown La2O3 films, which possessed a constant growth rate of ~0.4 Å/cycle at 250–280 °C, were confirmed by XPS, SEM, and AFM. The results show that La(thd)3-DMEA is a suitable precursor for the atomic layer deposition of La2O3 film. [ABSTRACT FROM AUTHOR]

A new class of biologically active mineral complexes was synthesized by reacting the following metal salts: MnCl2·4H2O, CoCl2·6H2O, CuCl2·2H2O, CrCl3·6H2O, and PdCl2 respectively with 2-amino-4,6-dimethyl pyrimidine (ADMPY) and Schiff's base resulting from the condensation reaction between benzaldehyde with p-phenylenediamine and 2-hydroxy-1-naphthaldehyde as ligands have been synthesized and characterized on the basis of their CHN, thermal analysis, XRD, SEM and magnetic measurements along with their FT-IR and UV-vis spectra. The scanning electron microscope SEM measurements and the calculations on the powder XRD data indicate the nano-sized nature of the prepared complexes (average size 32–88 nm). The spectral data confirmed the coordinated ligand (HL) via a nitrogen atom of an azomethine group (-C=N-) and phenolic -OH group and NH2-ADMPY ligand with the metal ions. An octahedral geometry for all complexes has been proposed based on magnetic and electronic spectral data except Pd(II) complex, which has a tetrahedral geometry. Molecular modeling was performed for Cu(II) complex using the density functional method DFT/B3LYP to study the structures and the frontier molecular orbitals (HOMO and LUMO). The antioxidant of the complexes was studied using the 2,2-diphenyl-1-picrylhydrazyl (DPPH)-free radical-scavenging assays. The metal complexes were tested in vitro for anticancer activities against two cancer lines A-549 and MRC-5 cells. Cu(II) and Pd(II) complexes showed the highest cytotoxicity effect, comparable to that of other cis-platinum-based drugs. The complexes showed significant activity against fungi and bacteria. [ABSTRACT FROM AUTHOR]

The present manuscript deals with the insecticidal and toxicological activities of some mixed ligand complexes of Zinc which are recently been reported. The newly synthesized complexes were also tested for their contact, stomach, antifeedant, and acaricidal activities against insects, pests, and mites. The outcome of screening clearly indicates them as potent insecticidal agents. [ABSTRACT FROM AUTHOR]

The neighboring Cd(1) ions link V-shaped BIPA molecules into one kind of a helical chain, in which the Cd(1)---Cd(1) distance of adjacent atoms is 18.129(11) Å. The angle Cd(1)-N(5)-Cd(1) is 141.530(26)°. Symmetry codes: #1 = 3 - x, 0.5 + y, 0.5 - z; #2 = -x, 0.5 + y, 0.5 - z; #3 = 1 - x, 0.5 + y, 0.5 - z; #4 = 2 + x, 0.5 - y, -0.5 + z. The Cd-O bond lengths are in the range of 2.233-2.400 Å, and the Cd-N lengths are in the range of 2.238-2.255 Å. They are all close to that of previously reported Cd complexes [[26]]. Keywords: cadmium(II) complexes; hydrogen bonds; imidazolyl ligands; mixed ligands EN cadmium(II) complexes hydrogen bonds imidazolyl ligands mixed ligands 555 559 5 07/18/22 20220701 NES 220701 1 Introduction In the past 20 years, crystal engineering of coordination polymers has attracted more and more attention due to their aesthetic structures [[1]], as well as their potential applications in the fields of fluorescence [[3]], energetic materials [[5]], gas adsorption and separation [[7]], heterogeneous catalysis [[9]], molecular magnetism [[11]], and nonlinear optics (NLO) [[12]]. A new coordination polymer containing (BIPA-Cd) SB I n i sb or (DCPS-Cd) SB I n i sb helical chains was obtained under solvothermal conditions, namely {[Cd(BIPA)(DCPS)](H SB 2 sb O)} SB I n i sb ( B 1 b ). [Extracted from the article]

New cobalt (II) complexes with mixed ligands including [(2- oxime-4-hydrazone) pentane (L1H) and 2-chlorobenzaldehyde thiosemicarbazone(T1H) ,or 3,4-dimethoxy acetophenone thiosemicarbazone (T2H); glycine (GH) or metformin (mf)] have been prepared in both pH (6.5-7) and (9.5-10) using classical and microwave techniques. The resulting complexes have been characterized using physio- chemical and spectral techniques. The study suggested that the complexes have the generalformulate [Co(L1H)(TH)(BH)](CH3COO)2and[Co(L1)(TH)(G)]or[Co(L1)(T)(mf)] at pH (6.5-7) and (9.5- 10), respectively {where TH= T1H or T2H; T= deprotonated T1H or T2H; L1H=L1=deprotenated; BH= GH or mf; G= deprotonated GH]. Hexacoordinated mononuclear complexes having distorted octahedral geometries have been investigated. The biologicall activity of the ligands and complexes have been evaluated by agar plate diffusion technique against Echerichia coli, Klipsila pnnemoia, Staphylococcus aureus and Pseudomonas aeruginosa. Some compounds have been found to have antibacterial activity.

In this investigation, we studied the mixing of two ligands, isonicotinohydrazide (L1) and 3‐hydroxyisonicotinic acid (L2), with different metal ions to afford the corresponding stable metal complexes. Consequently, intensive physico‐chemical analysis including elemental analysis, UV–visible, Fourier transform infrared (FT‐IR), thermogravimetric analysis (TGA), mass, 1H nuclear magnetic resonance (NMR), X‐ray diffraction (XRD), magnetic, and molar conductance measurements has been performed. The thermal stability of all complexes was determined using TGA, and the kinetic parameters were obtained using the Coats–Redfern method. Both the degree of crystallinity and the unit cell of all complexes were determined utilizing XRD studies. Furthermore, these metal complexes exhibited excellent anti‐proliferative activity against human breast cancer (MCF‐7) and human liver cancer (HepG2) cell lines against the doxorubicin drug. The Co(II) complex outperformed all other metal complexes in terms of activity, which was confirmed by molecular docking stimulation via the binding energy with amino acids in a structural complex of Kaposi's sarcoma‐associated herpesvirus (KSHV) thymidylate synthase (PDBID:5H38) and the ternary complex of KRIT1 bound to both the Rap1 GTPase and the Heart of Glass (HEG1) cytoplasmic tail (PDBID:4hdq) and shortage. Moreover, these metal complexes were optimized via theoretical investigation through a density functional theory (DFT)/B3LYP/LANL2DZ basis set to confirm the stability of these metals theoretically and detect frontier molecular orbitals (FMO), electrostatic potential (ESP), energy gap, and physical computational calculations. Eventually, the electrochemical features were explored using cyclic voltammetry (CV) and electrochemical impedance spectra (EIS). [ABSTRACT FROM AUTHOR]

The synthesis of a new mixed Schiff-base and DTCs ligands and its metal complexes are reported. Schiff-base was prepared by reaction of ((E)-2-amino-6-(pyridin-2-yl diazenyl)phenol) with 4-(dimethylamino)benzaldehyde). The complexes were prepared by mixing the (2-(((E)-4-(dimethylamino)benzylidene)amino)-6-((E)-pyridin-2-yldiazenyl)phenol) ligand (HL) and (potassium diphenylcarbamodithioate) ligand (L) with the metal salts; Cobalt(II), Nickel(II), Zinc(II) and Cadmium(II) in a 1:1:1 mole ratio. Physico-chemical techniques were implemented, as required, to characterise the ligands and complexes. These include; elemental microanalysis, Fourier Transform Infrared Spectra, Electronic spectra and 1H-Nuclear magnetic resonance spectroscopy, chloride content, magnetic susceptibility and conductance. Thermal stability (TGA-DSC) of the ligand and selected complexes were also investigated. These analyses revealed the isolation of six and four coordinate structures in the solid and solution sate. The antimicrobial activity of the ligand and its complexes against bacterial strains species was examined. [ABSTRACT FROM AUTHOR]

Four new mixed ligand copper(II) complexes with the general formula [Cu(L)(B)]n (1)–(4) (H2L = dehydroacetic acid benzoyl hydrazone Schiff base, B = H2O (1), DMSO (2), imidazole (imz) (3), n = 1) or pyridine (py) (4), n = 2) were synthesized. Characterization was performed by elemental analyses, FTIR, 1H NMR, electron paramagnetic resonance (EPR), ESI‐mass, and UV–visible) spectroscopy, together with magnetic susceptibility and molar conductivity measurements. The molecular structure of (2) and (4) complexes was investigated by X‐ray crystallography. The ligand behaves as a di‐basic tridentate ONO donor, coordinating to copper(II) center via deprotonated hydroxyl group, azomethine nitrogen, and deprotonated amide oxygen in a square planar (1)–(3) /square pyramidal geometry (4). The intercalation binding mode of the compounds with calf thymus DNA (ct DNA) and yeast (tRNA) and strong static interaction with bovine serum albumin (BSA) protein have been evaluated by absorption and emission spectroscopy. Further, in vitro cytotoxic activity of the compounds was examined on three human cancer cell lines; breast cancer (MCF7), colon cancer (HCT116), liver cancer (HepG2), and a normal lung fibroblast cell line (WI38) using cisplatin as a standard. Based on IC50 and therapeutic indices (TI), complexes (3) and (4) showed better activity than that of cisplatin. So both complexes were subjected for further studies viz, DNA fragmentation, cell apoptosis (annexin), and cell cycle analysis. They induced DNA fragmentation, and the HCT116 and HePG2 cell death were induced using (3) and (4) complexes, respectively, by apoptosis and cell cycle arrest at the G2/M phase. [ABSTRACT FROM AUTHOR]

Two Zn(II) and Cu(II) complexes formulated as Zn(DMS)(bix)0.5 (1) and Cu(DMS)(bix)0.5 (2) (DMS = 2,2-dimethylsuccinate; bix = 1,4-bis(imidazol-1-ylmethyl)benzene) are successfully prepared under hydrothermal conditions. The single crystal X-ray diffraction (XRD) analysis shows that both complexes are isostructural, have the P2/c space group and a 2D layer architecture with the DMS bisbridged ribbon. The title complexes are characterized by single crystal XRD, IR spectroscopy, TG and elemental analyses, and photoluminescence sensing in the solid state. In addition, the sensing efficiency of nitrobenzene for 1 is evaluated. [ABSTRACT FROM AUTHOR]

[Display omitted] • A mixed ligand strategy was employed to prepare hierarchically porous CPO-27-Ni. • Enhanced desulfurization performance was due to improved mass transfer in BA-C- x. • BA-C-0.5 exhibited hierarchical pores and excellent structural stability. • BA-C-0.5 exhibited satisfactory desulfurization and regeneration performance. • BA-C- x exposed more active sites and facilitated adsorbates diffusion. High-efficiency removal of macromolecular aromatic sulfide from fuel via adsorption technology remains a challenge due to the limited mass-transfer efficiency in traditional microporous materials. Constructing hierarchically porous structure might be an alternative route to overcome the problem. Herein, we propose an approach to prepare rationally defective Nickel(II) 2,5-dihydroxyterephthalate (CPO-27-Ni) using benzoic acid (BA) and 2, 5-dihydroxyterephthalic acid (DHTA) as mixed ligands, aiming at reducing the diffusion resistance of molecules in adsorbents through introducing mesopores and thus enhancing the performance of aromatic sulfide removal. By adjusting the ratio of BA and DHTA (x), CPO-27-Ni (BA-C- x) with rational defects was successfully synthesized. Compared with the single-channel CPO-27-Ni, the penetrating sulfur capacity in the dynamic adsorption experiment was increased by 9.97 times for thiophene (TP), 7.25 times for benzothiophene (BT) and 2.81 times for dibenzothiophene (DBT). After the addition of organic ligand B, additional mesoporous pores were formed in the microporous CPO-27-Ni. The obtained hierarchical structure possessed better textural properties and ensured structural constancy, which improved the utilization rate of high active sites and mass transfer rate of adsorbent, leading to promoted desulfurization performance. The reported method of introducing mesopores into MOFs to construct hierarchically porous structures would provide a meaningful reference for facile preparation of high-efficiency desulfurization adsorbents. [ABSTRACT FROM AUTHOR]

Mixed ligand complexes of cobalt and palladium containing triphenylphosphine and a hydrazone derived from furfural and hydrazine hydrate have been designed, synthesized, evaluated, and characterized from their spectral properties, elemental analysis, and magnetic susceptibility measurements. The spectral techniques suggest that the complexes exhibit square planar geometry. The monomeric properties of the complexes are evaluated from their magnetic susceptibility values. The complexes were subjected to z-scan analysis for third-order non-linear optical measurements. Non-linear transmission measurements performed using laser pulses at 532 nm in nanosecond indicate that the complexes may show good potential as optical limiters. [ABSTRACT FROM AUTHOR]

Copyright of Journal of Education & Science is the property of Republic of Iraq Ministry of Higher Education & Scientific Research (MOHESR) and its content may not be copied or emailed to multiple sites or posted to a listserv without the copyright holder's express written permission. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract. (Copyright applies to all Abstracts.)

A di‐manganese(III) complex structure was built by an original approach consisting of a two‐step procedure. First, the mononuclear complex of the manganese(III) with the Schiff base of the salen‐type ligand (H2L) derived from 1,3‐bis(3‐aminopropyl)tetramethyldisiloxane and 3,5‐di‐tert‐butyl‐2‐hydroxybenzaldehyde was prepared. The main feature of note is the 12‐membered chelate ring formed upon coordination of the Schiff base to central atom, which adopts a distorted N2O4 octahedron environment. In the second step, the acetato co‐ligand in this complex is replaced by the carboxylate anion of a dicarboxilic acid, namely adipic acid. This metathesis reaction leads to the formation of dinuclear structure by connecting two manganese centers. The structure, as was determined by X‐ray single crystal diffractometry, elemental and spectral analysis, is permethylated dinuclear complex with long aliphatic bridge. Thermal and magnetic properties were studied. In addition, the formation of magnetically induced stripe‐ordered domains was highlighted by the magnetic force microscopy (MFM) on films born from diluted solution. [ABSTRACT FROM AUTHOR]

A new 3D MOF, [Cd3(L)2(L′)(L″)]∞ (1) (L = 9,10-anthracene dibenzoate; L′=pyridine-3-carboxylate; L″=pyridine-4-carboxylate), has been synthesized hydrothermally and characterized by IR spectroscopy, elemental analysis, thermogravimetric analysis, X-ray powder diffraction and single-crystal X-ray diffraction. Compound 1 crystallizes in orthorhombic, space group Pca21 with a = 20.162(4), b = 9.3350(19), c = 28.776(6) Å, C68H40N2O12Cd3. Cd(II) ions center and its corresponding centrosymmetric atoms are interconnected through L, L′, and L″ ligands to be assembled into a complicated 3D structure. In addition, the luminescent property of compound 1 was investigated primarily in the solid state. A new metal-organic framework, [Cd3(L)2(L′)(L″)]∞ (1), has been synthesized hydrothermally and characterized by IR spectroscopy, elemental analysis, thermogravimetric analysis and single-crystal X-ray diffraction. Compound 1 exhibits new 3D structures, in which there is a face-to-face π–π stacking interaction between each L ligand with adjacent L ligand. The experimental result shows that compound 1 exhibits blue fluorescence in the solid state at room temperature. [ABSTRACT FROM AUTHOR]

ga1 • ZIF-8-90 showed significantly improved selectivity (up to 99%) compared to ZIF-8. • ZIF-8-90 exhibited better catalytic ability with lower cost than ZIF-90. • A higher TOF of ZIF-8-90 was obtained than those of most of other ZIFs. • ZIF-8-90 displayed enhanced framework stability with good cycling. An efficient dual-ligand zeolitic imidazolate framework ZIF-8-90 was fabricated for the synthesis of five-membered cyclic carbonate from CO 2 and epichlorohydrin (ECH) in the absence of co-catalysts and solvents. The effects of various reaction parameters were studied. The dual-ligand ZIF-8-90 showed very high selectivity (up to 99%). ZIF-8-90 exhibited better catalytic ability with lower cost than ZIF-90 and enhanced framework stability with significantly improved selectivity compared to ZIF-8. Moreover, the catalyst has been successfully reused for three cycles with negligible decrease in the catalytic activity. A plausible mechanism for the ZIF-8-90 catalyzed ECH−CO 2 cycloaddition under solvent-free and co-catalyst-free has been proposed. [ABSTRACT FROM AUTHOR]

Two new oxidovanadium(V) complexes, [VOLL1] (I) and [VOLL2] (II), where L is the dianionic form of the hydrazone ligand 2-cyano-N'-(2-hydroxy-3-methoxybenzylidene)acetohydrazide (H2L), L1 and L2 are the deprotonated form of 2-hydroxybenzohydroxamate (HL1) and 3-hydroxy-2-methyl-4H-pyran-4-one (HL2), respectively, have been prepared and characterized by elemental analyses, IR, UV-Vis, 1H NMR and single crystal X-ray crystallographic determination (СIF files CCDC nos. 1880992 (I) and 1880993 (II)). The V atoms in the complexes are in octahedral coordination with the hydrazone ligand coordinates to the metal atoms through the phenolate O, imino N and enolate O atoms, and with 2-hydroxybenzohydroxamate and 3-hydroxy-2-methyl-4H-pyran-4-one through the carbonyl and hydroxyl O atoms. The effect of the compounds on the antimicrobial activity against Staphylococcus aureus, Escherichia coli, and Candida albicans was studied. [ABSTRACT FROM AUTHOR]

Copyright of Baghdad Science Journal is the property of Republic of Iraq Ministry of Higher Education & Scientific Research (MOHESR) and its content may not be copied or emailed to multiple sites or posted to a listserv without the copyright holder's express written permission. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract. (Copyright applies to all Abstracts.)

In this work, chemosensors based on mixed ligands were proposed for the cooperative detection of Co2+. The relationship between the specifically selected mixed organic ligands and the detection activities is discussed. Diverse responses to metal ions can be tuned by controlling the structural features of organic ligands, such as different sizes, geometries, substituents, and connectivity. Among the nine investigated systems, DHAB–Tpy, DHAB–Phen, and DHAB–Dpa displayed high selectivity and sensitivity for Co2+, with detection limits of 4.5 × 10−7 M, 1.1 × 10−7 M, and 8.0 × 10−8 M, respectively. The detection of Co2+ was not affected by other metal ions, anions, amino acids, proteins, nucleic acids, lipids and pH conditions. Furthermore, the proposed method was validated in the analysis of Co2+ in real water samples with satisfactory recovery and relative standard deviation values. TAC–Phen and TAC–Dpa could recognize Co2+ qualitatively, but could not detect Co2+ quantitatively. While TAC–Tpy, PAN–Tpy, PAN–Phen, and PAN–Dpa showed no metal ion selectivity. The experimental results were also rationalized by theoretical studies. A mixed ligand system can be used to produce a ratiometric absorption signal to avoid most ambiguities, such as the chemosensor environment and concentration, via self-calibration of two absorption bands. Structural insights derived from detection activities can provide valuable information for the design of new metal ion chemosensors by varying the type of organic ligands. Graphical abstracts The work represents a simple strategy for obtaining synthesis-free, inexpensive, and sensitivity-tunable chemosensors through mixing organic ligands of different sizes, substitutions, geometries, and connectivity to modulate the sensing behaviors. [ABSTRACT FROM AUTHOR]

Pd(II) complexes were synthesized from 2-(4-antipyrine azo)-4-nitroaniline (C17H16O3N6) as primary ligand, and (Oxalic acid, Malonic acid, sodium pyrophosphate) as secondary ligands using metal: ligand in (1:1) mole ratio with molecular formula [Pd(C17H16O3N6)Cl2], [Pd(C17H16O3N6)(ox)], [Pd (C17H16O3N6)(ma)],[ Pd (C17H16O3N6) pyph]. These complexes were characterized byspectral methods FTI.R, (U.V–Vis), (A.A), mass spectroscopy, (C.H.N), Magnetic moment, molar conductivity and melting point measurements. The complexes product gave square planer geometry. A fast, simple, sensitive and validated spectrophotometric approachwas described for determining palladium(II)with the use of 2-(4-antipyrine azo)-4-nitroaniline. The complex product has been quantified at 595 nm length and the best conditions for interaction have beeninvestigated and improved.Biological activity of the complexes were tested on three types of fungus Aspergillus niger, Aspergillus parasiticus, Penicillium sp., which showed high toxicity by measuring the diameters of the fungus used. [ABSTRACT FROM AUTHOR]

[Display omitted] • A Cu(II) complex is prepared from mixed ligands. • Catalysis such as photo/ electrocatalysis, and magnetic properties. • The photocatalytic activity was studied against methylene blue. • Electrocatalytic activity towards OER with low overpotential and Tafel slope of 91 mVdec-1. • Antiferromagnetic interactions are observed in complex. In this study, the preparation of copper(II) complex formulated, [Cu(3-nitrobenzoic acid) 2 (1-Me-imi) 2 ] (1), (where 1-Me-imi is 1-Methylimidazole) were done by using Cu(NO 3) 2 ·3H 2 O, 1-methylimidazole and 3-nitrobenzoic acid in mixed solvents (MeOH/H 2 O). This complex was characterized by FTIR, elemental analysis, and single X-ray crystallography. The crystal structure shows two isostructural units with different bond lengths and angles. Its geometry can be described as a distorted octahedron with six coordination numbers. The photocatalytic activity of (1) was studied against methylene blue (MB) dye in aqueous media under UV light irradiation. The reaction parameters influencing photocatalytic activity were optimized. Photocatalytic activity of 70.71% was attained under optimized conditions (initial dye concentration = 40 mg/L, catalyst dosage = 0.5 g, pH = 10, temperature = 333 K, and irradiation time = 40 min). The recyclability test indicated good catalyst stability without losing photocatalytic activity even after four consecutive catalytic runs. Furthermore, pseudo-first-order kinetics was assumed for the photocatalytic reaction with a high-rate constant of 0.02368 min−1. The scavenging study investigated that among various reactive species involved in the photocatalytic reaction, hydroxyl radicals (OH•) have the prominent contribution followed by superoxide anion (∙ O 2 -) and positive holes (h+). In electrochemical studies for oxygen evolution reaction (OER), 1 has a low overpotential with a Tafel slope 91 mVdec-1. Electrochemical impedance spectroscopy measurements indicate a small RCT value of 1.178 Ω and the complex was found stable by Chronoamperometric analysis. Magnetic study measurements indicate about no long-range antiferromagnetic interaction in 1. [ABSTRACT FROM AUTHOR]

The gel-mediated syntheses and crystal structures of [N′-(pyridin-2-ylmethylidene-κN)benzohydrazide-κ2N′,O]tris(thiocyanato-κN)praseodymium(III) monohydrate, [Pr(NCS)3(C13H11N3O)2]·H2O, (I), and aqua(nitrato-κ2O,O′)[N′-(pyridin-2-ylmethylidene-κN)benzohydrazide-κ2N′,O](thiocyanato-κN)neodymium(III) nitrate 2.33-hydrate, [Nd(NCS)(NO3)(C13H11N3O)2(H2O)]NO3·2.33H2O, (II), are reported. The Pr3+ ion in (I) is coordinated by two N,N,O-tridentate N′-(pyridin-2-ylmethylidene)benzohydrazide (pbh) ligands and three N-bonded thiocyanate ions to generate an irregular PrN7O2 coordination polyhedron. The Nd3+ ion in (II) is coordinated by two N,N,O-tridentate pbh ligands, an N-bonded thiocyanate ion, a bidentate nitrate ion and a water molecule to generate a distorted NdN5O5 bicapped square antiprism. The crystal structures of (I) and (II) feature numerous hydrogen bonds, which lead to the formation of three-dimensional networks in each case.

Four d-orbital metal complexes with mixed ligands derived from 8-hydroxyquinoline (HQ) and amino acids (AA): l-alanine and methionine have been synthesized through a mild reflux in alkaline solution and characterized by elemental analyses, infrared, electronic transition, and temperature dependant magnetic susceptibility. The IR spectroscopy revealed that iron and copper ions coordinated through carbonyl (CO), hydroxyl group (OH) of the amino acids, N-pyridine ring of hydroxyquinoline. The elemental analysis measurement with other obtained data suggested an octahedral geometry for the iron(III) complexes and tetrahedral geometry for the copper(II) complexes. From the molar magnetic susceptibility measurement, the iron(III) system (S = 5/2) d5 (non-degenerate 6A1) with χmT = 0.38 cm3 Kmol−1 showed an antiferromagnetic while Cu2+ ions system (S = ½) (2T2g) has χmT = 4.77 cm3 Kmol−1 described as paramagnetic behaviour. In vitro antimicrobial investigations of the metal complexes against standard bacteria species gave significant inhibition with, copper complex showing highest inhibitions against Pseudomonas aeruginosa (ATCC27853) of 43 mm at 10 μg/ml signalling its potential as pharmaceutical or chemotherapeutic agents.

Abstract Five new Zn(II) coordination polymers, {[Zn 2 (HBPO) 2 (phen) 2 (H 2 O) 2 ]·H 2 O} n (1), [Zn 2 (BPO)(H 2 BPO)(phen) 4 ]·2(H 2 BPO)·4H 2 O (2), {[Zn(HBPO)(4,4′-bipy) 0.5 ]·H 2 O} n (3), [Zn(HBPO)(dpe) 0.5 ] n (4) and {[Zn 2 (HBPO) 2 (dpp)]·H 2 O} n (5), constructed from mixed ligand; bis(4-carboxylphenyl)phosphinic acid (H 3 BPO) and N-donor pyridine ligands (phen, 4,4′-bipy, dpe and dpp), have been synthesized and characterized by single crystal X-ray diffraction, IR spectroscopy and elemental analyses. Intermolecular hydrogen bonds, π- π interaction and other intermolecular interaction are effective in stabilization of the crystal structure of these supramolecular complexes. The thermal stability and luminescence properties of compounds 1 – 5 in the solid state were studied too. Highlights • Five new Zn(II) coordination polymers constructed from mixed ligand; (H 3 BPO) and N-donor pyridine ligands have been synthesized and characterized. • Hydrogen bonds, π- π interaction and other intermolecular interaction are effective in stabilization of these supramolecular complexes. • The thermal stability and luminescence properties of compounds 1 – 5 in the solid state were studied. • The harder oxygen atom from P O group of BPO can selectively coordinate to Zn(II) ions. [ABSTRACT FROM AUTHOR]

Porous coordination polymers (PCPs) of Zn2+, oxalic acid and mixture ratio of 3-amino, 1,2,4- triazole (Ataz) and 1,2,4-triazole (Taz) were synthesized to capture of carbon dioxide. A series of molar fraction Taz/(Taz + ATaz) prepared as 0.1;0.3;0.4;0.5;0.6;0.7 and 0.9 and also only ATaz and Taz ligand as 0 and 1 molar fraction respectively. Mixture of Taz and ATaz crystal induce new structure of 0.4, 0.5 and 0.6 molar fraction. Nitrogen adsorption of 50% mixture each ligand contribute the highest surface area as function of optimum condition to integrate pore space and amine group presence with adsorbed as 290 mgg-1. This phenomena also shown through CO2 adsorption amount as 135 mgg-1, instead of 0.4, 0.6 and 0.7 molar fraction observed higher amount of CO2 compared with only Taz ligand (X=1), indicate the integrated effects both of the ligand could generated the capture of higher amount of carbon dioxide. [ABSTRACT FROM AUTHOR]

Novel complexes of the formula [M(MOX)(Ben)Cl(H 2 O) m ].nH 2 O and [Ag(MOX)(Ben)] 3.5H 2 O; M = Co, Ni, and Zn, n = 1.5, 2 and 1, m = 0 or 2, MOX; Moxifloxacin and Ben; benzimidazole, were synthesized. Their effect on different cancer cells together with bacterial and fungal activity was determined. Formulation of the complexes was based on elemental analyses, different spectrophotometric methods (FT-IR, UV/Vis, NMR), and magnetic studies. FT-IR data indicated that the bonding of the Co(II), Ni(II) and Zn(II) ions with MOX to be achieved through the quinolone and carboxylate oxygen atoms. On the other hand Ag(I) bonded to the MOX through hydro-pyrrolopyridine nitrogen atom. TGA and DTA studies for the metal complexes showed them to possess considerable stability. Thermodynamic parameters ΔE*, ΔS* and ΔH* were evaluated and the appearance of fractional orders suggested that the reactions proceed via complicated mechanisms. The novel mixed ligands complexes were evaluated for their biological activity against the bacterial species ( S. aureus ) and ( E. coli ) and the fungal species Aspergillus flavus and Candida albicans. The complexes were found to possess better antibacterial and antifungal activities compared to the Moxifloxacin ligand. The compounds' effects were also screened for their anti-oxidant activity by DPPH method and were tested for their cytotoxicity activity against Breast cancer cell lines (MCF-7), Colon carcinoma cells (HCT) and Hepatocellular carcinoma cells (HepG2) by viability assay method. [ABSTRACT FROM AUTHOR]

Employing tetracarboxylate and imidazole mixed ligands to react with different transition meat salts afford two new 3D coordination polymers, {[Zn2(BPTC)(BBI)2]·(H2O)3·DMSO}n (1) and {[Cd2(BPTC)(BBI)2]·H2O}n (2) (H4BPTC = biphenyl-3,3′,4,4′-tetracarboxylic acid, BBI = 1,1′-(1,4-butanediyl)bis(imidazole)). Both these two coordination polymers are 4-connected network topologies. Compound 1 features a unprecedented 3-nodal (4,4,4)-connected network topology with the point symbol {64·82}, and 2 displays a (4,4)-connected binodal network bearing new topology with the point symbol of {72·84}2{73·83}. Additionally, thermal stability and photoluminescence properties of 1 and 2 were investigated. [ABSTRACT FROM AUTHOR]

Two novel Schiff base ligands (La and Lb) were prepared from the condensation of quinoline 2‐aldehyde with 2‐aminopyridine (ligand La) and from the condensation of oxamide with furfural (ligand Lb). Mixed ligand complexes of the type M+2La/b Lc were prepared, where (La and Lb) the primary ligands and Lc was 2,6‐pyridinedicarboxylic acid as secondary ligand. Metal ions used were Fe(II), Co(II), Ni(II) and Zn(II) for mixed ligands La Lc and Fe(II), Co(II), Ni(II), Cu(II), Hg(II) and Zn(II) for LbLc mixed ligands. La and Lb Schiff base ligands were both characterized using elemental analyses, molar conductance, IR, 1H and 13C NMR. Mass spectra for Lb, [Zn(La)LcCl]Cl and [Cu(Lb)LcCl]Cl were also studied. ESR spectrum of the [Cu(Lb) LcCl]Cl complex was also recorded The metal complexes were synthesized and characterized using elemental analyses, spectroscopic (IR, 1H NMR, UV‐visible, diffused reflectance), molar conductance, magnetic moment and thermal studies. The IR and 1H NMR spectral data revealed that 2,6‐pyridinedicarboxalic acid ligand coordinated to the metal ions via pyridyl N and carboxylate O without proton displacement. In addition, the IR data showed that La and Lb ligands behaved as neutral bidentate ligands with N2 donation sites (quinoline N and azomethine N for La and two azomethine N for Lb). Based on spectroscopic studies, an octahedral geometry was proposed for the complexes. The thermal stability and degradation of the metal complexes were investigated by thermogravimetric analysis. The binding modes and affinities of La, Lb and Zn(II) complexes towards receptors of crystal structure of E. coli (PDB ID: 3 t88) and mutant oxidoreductase of breast cancer (PDB ID: 3 hb5) receptors were also studied. The antimicrobial activity against two species of Gram positive, Gram negative bacteria and fungi were tested for the Schiff base ligands, 2,6‐pyridinedicarboxylic acid and the mixed ligand complexes and revealed that the synthesized mixed ligand complexes exhibited higher antimicrobial activity than their free Schiff base ligands. [ABSTRACT FROM AUTHOR]

A series of phosphoramidite ligands was tested in the asymmetric hydrogenation of 4-arylsubstituted 1,3-dihydro-2H-benzodiazepine-2-ones and up to 52% ee was achieved. The effects of various factors (solvents, hydrogen pressure, and addition of phosphine ligands) on the hydrogenation were studied. [ABSTRACT FROM AUTHOR]

Two new Cu(ii) coordination polymers [Cu(Fbtx)(H2btec)(H2O)2]n and {[Cu(Fbtx)(btec)0.5(H2O)2]·H2O}n have been synthesised by hydrothermal reactions of Cu(ii) nitrate with 1,4-bis(1,2,4-triazole-1-ylmethyl)-2,3,5,6-tetrafluorobenzene (Fbtx) and 1,2,4,5-benzenetetracarboxylic acid (H4btec) under different pH conditions. The first complex has a two-dimensional four-connected layer structure with a 44-sql topology, whereas the second has a two-dimensional three-connected brick-wall network. The luminescence properties of the complexes in the solid state and their thermal stabilities have also been studied. [ABSTRACT FROM AUTHOR]

Complexes of the type [ML'L(OH)(H2O)] {where M= Ni(II), Co(II) or Mn(II), L'= isatin and HL= 3-(2-phenylhydrazono)acetylacetone, 3-(2-(4-chlorophenyl)hydrazono)acetylacetone or 3-(2-(4-bromophenyl)hydrazono)-acetylacetone} have been synthesized by equimolar reaction of a metal(II) chloride with isatin and 3-(2-(aryl)hydrazono)acetylacetone. The resulting complexes have been characterized by elemental analyses, molar conductivity, spectral data (IR, 1H NMR, mass) and magnetic moments. Furthermore, the ligands and their metal complexes have been screened for their cytotoxicity against different human cancer cell lines by using SRB assay. The results showed that most of the mixed ligand metal complexes have high cytotoxicity in comparison with the reference drugs used.

A series of five new ZnII and CdII mixed-ligand coordination polymers, namely, {[Zn(L1)(4,4'-bpy)]·(ClO4)·2H2O} (1), {[Zn(L2)(4,4'-bpy)0.5]·(ClO4)} (2), {[Zn(L3)(4,4'-bpy)]·(NO3)·2H2O} (3), {[Cd(L4)(4,4'-bpy)0.5(NO3)]·5H2O} (4), and {[Zn(L4)(4,4'-bpy)]·Cl·H2O} (5) [4,4'-bpy = 4,4'-bipyridine, L1 = 4-carboxy-1-(4-carboxybenzyl)pyridin-1-ium chloride, L2 = 3-carboxy-1-(4-carboxybenzyl) pyridin-1-ium chloride, L3 = 4-carboxy-1-(3-carboxybenzyl) pyridin-1-ium chloride, and L4 = 3-carboxy-1-(3-carboxybenzyl) pyridin-1-ium chloride], were obtained by the reactions of the 4,4'-bipyridine with four dicarboxylate zwitterionic pyridine ligands. Single-crystal X-ray structural analyses reveal that the five complexes demonstrate different molecular frameworks coming from various coordination modes and flexibilities of different dicarboxylate zwitterionic pyridine ligands and central metal atoms. Mononuclear twofold dinuclear 2D twofold interpenetrating net for 2, four-coordinate mononuclear twofold interpenetrating 2D layer for 3, mononuclear 2D layer arranged in parallel and with large grids for 4, and twofold trans interpenetrating 2D network for compound 5. The structural diversities in 1-5 indicate that the nature of the ligands and the presence of different metal atoms have a great influence on central metal coordination modes and the structural topologies of the metalorganic molecular architectures. In addition, π···π stacking interactions also play important roles in the final crystal packing and supramolecular frameworks. The powder X-ray diffraction, elemental analysis, and photoluminescence properties of 1-5 were studied, which show that architectures play an important role in emission bands and intensities. [ABSTRACT FROM AUTHOR]

This work presents six d 10 -metal coordination polymers based on mixed ligands of 5-sulfoisophthalate (H 2 SIP – ) and 1,2,4-triazoles (1H-1,2,4-triazole (Htr), 3-amino-1H-1,2,4-triazole (Hatr)), 3D [Zn 7 (SIP) 2 (tr) 8 (H 2 O) 4 ]·4H 2 O ( 1 ), 3D [Zn 4 (SIP)(atr) 5 (H 2 O) 2 ]·3H 2 O ( 2 ), 2D [Zn 2 (SIP)(atr)(H 2 O) 3 ]·2H 2 O ( 3 ), 2D [Ag(H 2 SIP)(Hatr)] ( 4 and 5 ), and 3D [Cd 3 (SIP)(tr) 2 (OH)]·H 2 O ( 6 ) under hydrothermal conditions. The structural analysis indicates a ligand directed structural diversity in the metal-(H)SIP-triazole system. The characterizations of 1 – 6 indicate that the bulk samples are pure phases, the thermal decomposition temperatures are beyond 300 °C, and the fluorescence are blue. The maximum emissions of 1 – 3 and 6 at around 410 nm are related with the intraligand π→π* transitions of 1,2,4-triazole moieties, and those at ca. 350 nm in 4 and 5 are assigned to intraligand transitions of (H)SIP ligands. The temperature-dependent fluorescence of 1 – 6 show thermal quenchings with fluorescence quenching rates ranging 22.9–74.2%, and the fluorescence cannot recover fully when it is back to ambient temperature. [ABSTRACT FROM AUTHOR]

One new three-dimensional Cd(II) polymer [Cd 3 (MMA) 2 (INA) 2 ] n ( 1 ) was synthesized hydrothermally based on mixed flexible methylmalonic acid (H 2 MMA) and rigid isonicotinic acid (HINA) ligands. Single-crystal X-ray diffraction analysis reveals that compound 1 has a 3D framework structure consisting of 2D {Cd 3 } layer unit and INA − connector, which bears a (3,8)-connected tfz-d topology with Schläfli symbol of {4 3 } 2 {4 6 .6 18 .8 4 }. The solid-state luminescent property was studied and 1 exhibits strong emission centered at 429 nm. [ABSTRACT FROM AUTHOR]

Two new oxidovanadium(V) complexes, [VO(L)(Ehp)] ( I) and [VO(L)(Aha)] ( II), where L is the dianionic form of 4-bromo- N'-(4-oxopentan-2-ylidene)benzohydrazide (HL), Ehp is the monoanionic form of 2-ethyl-3-hydroxy-4 H-pyran-4-one (HEhp), and Aha is the monoanionic form of acetohydroxamic acid (HAha), were prepared and characterized by elemental analysis, infrared and electronic spectra, and H NMR spectra. Structures of the complexes were further confirmed by single crystal X-ray diffraction (CIF files CCDC nos. 1477847 ( I), 1477850 ( II)). H2L coordinates to the V atom through the two enolic O atoms and the imino N atom. The ligands Ehp and Aha coordinate to the V atoms through bidentate OO donor set. The V atoms of the complexes are in octahedral coordination, with the oxo group furnished the octahedral geometry. The complexes show effective antibacterial activity against Bacillus subtilis. [ABSTRACT FROM AUTHOR]

• Two new solvents free Zn(II) complexes were prepared from mixed ligands. • In these complexes, various intermolecular interactions have been found. • Photoluminous properties and theoretical investigation such as Hirshfeld surface analysis, DFT and AIM calculations were performed on these complexes. • Both these complexes exhibit photoluminescence properties. • DFT calculations were compatible with experimental findings. Two novel Zn(II) complexes, [Zn(2-MeImi) 2 (benz) 2 ] (1) and [Zn(2-MeImi) 2 (piv) 2 ] (2) were prepared by the reaction of Zn(NO 3) 2 ·6H 2 O with 2-methylimidazole (2-MeImi) and benzoic acid (benz) / pivalic acid (piv) in CH 3 OH/H 2 O solvents in triethylamine. Both these coordination compounds were characterized by different methods like UV, IR, elemental analysis, thermogravimetric study and single X-ray crystallography. In (1) and (2), 2-methylimidazole and two carboxylates in each complex are coordinated and overall these complexes exhibit distorted tetrahedral geometry. Carboxylates (benz and piv) act as a monodentate ligands in 1 and 2 , respectively. The photoluminescence (PL) properties of 1 and 2 were recorded at 230 nm and broad peaks in 1 and 2 might be due to presence of the instruct defect states of zinc. The weak peaks in both of the complexes can be imputed because the relaxation of electrons comes out of the higher energy level to lower. In complexes 1 and 2 , the intermolecular interactions were investigated by 3D Hirshfeld surface analysis (d norm , fragment patch, curvedness and shape index) and 2D fingerprint plots. DFT calculation was used to further investigate the structural parameters of these complexes and their electronic transitions which results of DFT calculation were compatible with experimental findings. Two new solvents free Zn(II) complexes formulated, [Zn(2-MeImi) 2 (benz) 2 ] (1) and [Zn(2-MeImi) 2 (piv) 2 ] (2) were prepared by mixed ligands approach. The photoluminescence and theoretical investigation such as DFT, AIM and Hirshfeld surface analysis were performed on these complexes. [Display omitted] [ABSTRACT FROM AUTHOR]

ABSTRACT This work includes the synthesis of the ligands (POTL = 5-Phenyl-1,3,4-oxadiazole-2-thiol , NPOTL = 5-(3-Nitro-phenyl)-1,3,4-oxadiazole-2-thiol , and NPOTE = 5-(3-Nitro-phenyl)-3H-1,3,4-oxadiazole-2-thoione . All synthesized ligands were characterized by IR, 1H-NMR, 13C-NMR, UV-visible spectra and molar conductivity. Two nickel(II) complexes of mixed ligands (NPOTE) and en/acac were obtained by the reaction of Ni(OAc)2.4H2O with (NPOTE), on treatment with ethylenediamine (en) or acetylacetone (acac), gave the complexes of the type [Ni(NPOTE)2(en)2] , and [Ni(NPOTE)2(acac)2] respectively. In both complexes, the heterocyclic ligand coordinate through oxadiazole nitrogen, and the ligand exist as a thione form. The characterization data of IR-spectra, UV-visible spectra, conductivity measurement, magnetic susceptibility and atomic absorption, exhibited that both complexes have octahedral geometries around the Ni(II) center.

There are two independent molecules in the asymmetric unit of the title compound, [Zr(C18H24N3Si)Cl3(C7H5N)], which are connected by an N—H...Cl hydrogen bond. The Zr atoms are seven-coordinate and possess a distorted pentagonal–bipyramidal geometry. In the crystal, molecules are connected by N—H...Cl hydrogen bonds, forming ribbons along [010].