Search

This study explores the use of a Gd-doped Zinc-MOF composite as a catalyst for effectively removing antibiotics from water using photocatalysis. The Gd@Zinc-MOF material is synthesized in a one-step process and demonstrates semiconducting properties. It possesses a band gap of 3.15 eV, which allows for efficient photodegradation of antibiotics when exposed to UV light. The suitability of its catalytic activity is confirmed through characterization using analytical and spectroscopic methods. The photocatalytic process was conducted under optimal conditions, resulting in a remarkable 92.15% degradation of NFT (Nitrofurantoin). These conditions included a pH of 7, an antibiotic concentration of 30 mg/L, and a photocatalyst dosage of 20 mg/L, with a duration of 120 min. The photodecomposition process is illuminated by radical trapping experiments, highlighting the crucial role of O2˙−. In addition, the Gd@Zinc-MOF material exhibits remarkable stability when used repeatedly as a photocatalyst. In addition, the super capacitive activity of the material was extensively studied. Gd@Zinc-MOF exhibited a specific capacitance of 1156.25 F g−1 at a discharge current density of 1 A g−1, and maintained 93.07% of its capacitance after 4000 cycles. The study highlights the potential of Gd-doped Zinc-MOF composites as effective photocatalysts for water purification and promising electrode materials for future energy storage applications.Graphical Abstract: This study explores the use of a Gd-doped Zinc-MOF composite as a catalyst for effectively removing antibiotics from water using photocatalysis. The Gd@Zinc-MOF material is synthesized in a one-step process and demonstrates semiconducting properties. It possesses a band gap of 3.15 eV, which allows for efficient photodegradation of antibiotics when exposed to UV light. The suitability of its catalytic activity is confirmed through characterization using analytical and spectroscopic methods. The photocatalytic process was conducted under optimal conditions, resulting in a remarkable 92.15% degradation of NFT (Nitrofurantoin). These conditions included a pH of 7, an antibiotic concentration of 30 mg/L, and a photocatalyst dosage of 20 mg/L, with a duration of 120 min. The photodecomposition process is illuminated by radical trapping experiments, highlighting the crucial role of O2˙−. In addition, the Gd@Zinc-MOF material exhibits remarkable stability when used repeatedly as a photocatalyst. In addition, the super capacitive activity of the material was extensively studied. Gd@Zinc-MOF exhibited a specific capacitance of 1156.25 F g−1 at a discharge current density of 1 A g−1, and maintained 93.07% of its capacitance after 4000 cycles. The study highlights the potential of Gd-doped Zinc-MOF composites as effective photocatalysts for water purification and promising electrode materials for future energy storage applications. [ABSTRACT FROM AUTHOR]

Abstract Magnetic exchange (ME), exchange-coupling constants J, hydrogen bonding parameter ‘d’ (H … O), ‘D’ (O … O), and Cu … Cu distance with their geometry and topology of copper complexes are utilized here to carry out the magneto-structural analysis in Cu-coordination complexes (retrieved by CSD) sustained by { … O–Cu–O–H} supramolecular synthons, in this study. The analysis reveals that most of the complexes are having the ‘J’ value with negative number, if H … O (d) and Cu … Cu distances are in the range of 1.2–2.4 Ǻ and 3.8–5.9 Ǻ, respectively. [ABSTRACT FROM AUTHOR]

• Fe@Zn-CP composite shows enhance colorimetric recognition for uric acid, Cr 2 O 7 2− and tetracycline than the parent Zn-CP crystal. • Photocatalytic efficiency of Fe@Zn-CP composite for the decomposition of crystal violet dye is 87.86 % in comparison to Zn-CP (41.93 %) in contaminated water under the sunlight irradiation. Coordination polymers exhibit a diverse array of applications across various fields, and through the development of composite materials, their utility and versatility are further enhanced, broadening their impact on our world. In this work We synthesized the first coordination polymer (CP) based on Zn and doped with Fe composites (Fe@Zn-CP Composite), which exhibit enhanced photocatalytic activity triggered by visible light. Using mixed ligands orotic acid potassium salt, 1,3 di (4-pyridyl) propane (dpp), and FeSO 4 in a simple method at ambient temperature, the Zn-CP [Zn 8 (Or) 8 (dpp) 4 (H 2 O) 8 ] was resynthesized here to form the Fe@Zn-CP composites. Zn-CP and Fe@Zn-CP Composite were both characterized by powder X-ray diffraction, FT-IR spectra analysis, and SEM-EDX analysis and elemental mapping analysis. It has been observed that Fe@Zn-CP Composite is as multi-functional luminescence sensor for MnO 4 −, Cr 2 O 7 2− and Tetracycline with high sensitivity. In-depth research has also been done on the recyclable nature, and photocatalytic efficiency of Zn-CP and Fe@Zn-CP Composite for the decomposition of organic dyes Crystal Violet and Rose Bengal (RB) in contaminated water under the sunlight irradiation. [Display omitted] Fe@Zn-CP Composite supersedes the parent crystal on photocatalytic degradation of Crystal Violet and luminescent sensing of biomolecules, antibiotics and anions. [ABSTRACT FROM AUTHOR]

• Fabrication of Fe-doped nickel Orotate coordination polymer (Fe@Ni-CP). • Comparative study between Ni-CP and Fe@Ni-CP. • Fe@Ni-CP demonstrated enhanced Naproxen (NPX) sensing efficiency. • Fe@Ni-CP exhibits augmented specific capacitance. Coordination polymers have emerged as promising materials for various applications due to their unique properties and structural versatility. Making a composite with coordination polymers may broaden their applications. In this study, we developed Iron doped Nickel Coordination polymer Fe@Ni-CP from previously synthesized nickel orotate coordination polymer and explored its efficacy in sensing Naproxen (NPX) and also as an electrode material for energy storage devices. Photoluminescence sensing investigations exhibited a notable enhancement in NPX sensing efficiency, whereby the Fe@Ni-CP composite displayed a sensing efficiency of 94.05 %, surpassing the 6.42 % efficiency observed when utilizing the Ni-Orotate coordination polymer alone. Moreover, both materials showed significant differences in specific capacitance when tested as energy storage electrodes using Cyclic Voltammetry (CV) and Galvanostatic Charge Discharge (GCD). The Fe@Ni-CP has specific capacitance of 810.83 F/g, compared to 468.00 F/g for the Ni-CP. In Cyclic Voltammetry, Fe@Ni-CP retained 91.07 % specific capacitance after 4000 cycles. These findings underscore the potential of Fe@Ni-CP for multifunctional applications in sensing and energy storage. This study examines the synthesis and utilization of a Fe-doped Nickel Orotate coordination polymer composite (Fe@Ni-CP). The incorporation of iron enhances the Photoluminescence sensing capabilities of Naproxen by the Fe@Ni-CP composite (94.05 %) compared to the unmodified Ni-Orotate coordination polymer (6.42 %). When employed as an electrode material, the Ni-CP demonstrates a specific capacitance of 468.00 F/g, whereas the Fe@Ni-CP exhibits a notably enhanced specific capacitance of 810.83 F/g. [Display omitted] [ABSTRACT FROM AUTHOR]

A Zn(II)-based polyrotaxane 1D coordination polymer, {[Zn(Or)(Bimb)(H2O)]2·2H2O}n, 1 (Or = orotate; Bimb = 1,4-bis[(1H-imidazol-1-yl)methyl]benzene), has been synthesized. 1 provides for luminescent sensing of acetone, Fe3+, MnO4–, nitrofurantoin (NFT), uric acid (UA), and sucrose. The coordination polymer displays exceptional intensity quenching of ∼96.1% with 200 mg/dl of sucrose in aqueous solution. In addition, the reactivity of 1 to photocatalytically degrade the organic dye methylene blue (MB), a hazardous organic pigment, was established. 1 was able to degrade the dye due to the generation of reactive oxygen species. [ABSTRACT FROM AUTHOR]

Two coordination polymers of formula [Cu(2-picolinate)(nicotinate)]n (1), [Mn(2-picolinate)2]n (2), using pyridine-2/3-carboxylic acid and metal salt acetate, have been synthesized hydrothermally at 120 °C for 48 h in presence of ionic liquid tetraethylammonium hydroxide (25% aqueous solution). Although all reported complexes were synthesized in same experimental conditions, they show diversity in their structural features, 2 crystallize in monoclinic crystal system where as 1 shows higher symmetry space group, orthorhombic. The 3D structure in 1 is based on anti-syn Cu-O-C-O-Cu chain with µ2η1:η1 coordinative mode of carboxylate ion and ligand bridging through carboxylate oxygen and pyridyl nitrogen of nicotinate ion while 2D sheet structure in 2 is due to Mn-O-Mn chain involving µ2η2:η2 coordinative mode together with syn-anti Mn-O-C-O-Mn chain via µ2η1:η1 coordinative mode of carboxylate ion of picolinate ion only. It is observed that these chains are the structure factors for dimensionality of reported CPs. Both coordination polymers are insoluble in almost all organic solvents as well as in water and show good thermal stability between 280 and 450 °C. [ABSTRACT FROM AUTHOR]

Two new supramolecular synthon induced single crystals of metal-orotato complexes of formula [Cu(Orotate)·2H 2 O] 2 ( 1 ), [Mn(Orotate) 2 ·2H 2 O]·2H 2 O] ( 2 ), have been engineered and synthesized by self-assembly of metal salts with orotic acid in presence of 25% ammonia solution. Although both complexes crystallize in similar crystal system and different coordination geometries [(square planar ( 1 ), octahedral ( 2 )] but identical synthon patterns recur after complex formation. N H⋯O, O H⋯O synthons were the only artifact for both the hydrogen bonded metal–organic architecture. X-ray structural analysis, EPR, temperature independent paramagnetism (TIP) analysis, have been discussed. DFT calculation is used to rationalize the magnetic behavior of both the complexes. These calculations underline the pathway of magnetic exchange interactions through N H⋯O, O H⋯O supramolecular synthons and confirm, that the magnetic interactions propagate through such contacts in complex 1 and 2 . [ABSTRACT FROM AUTHOR]

An innovative [Cu(Hadp)2(Bimb)]n (KA@CP-S3) coordination polymer expands its dimensionality from a 1D chain to a 2D network. The topological analysis reveals that KA@CP-S3 has 2-connected uninodal 2D 2C1 topology. KA@CP-S3 has capable luminescent sensing for volatile organic compounds (VOCs), nitroaromatics, heavy metal ions, anions, disposed antibiotics (nitrofurantoin and tetracycline) and biomarkers. Intriguingly, KA@CP-S3 exhibits outstanding selective quenching of about 90.7% and 90.5% for the 125 mg dl−1 and 150 mg dl−1 strengths of sucrose, respectively, in aqueous solution along with other ranges in between. The photocatalytic degradation efficiency of KA@CP-S3 for the potentially harmful organic dye Bromophenol Blue displays 95.4%, which is the highest among the 13 dyes that were evaluated. [ABSTRACT FROM AUTHOR]

A zinc-nicotinate complex has been prepared by direct reaction of zinc acetate and nicotinic acid in the presence of template tetramethylethylenediamine and is characterized by elemental analysis, FTIR, and TGA/DTA. The Zn complex was a precursor for the synthesis of ZnO nanoparticles. A correlation of the thermal and spectral properties of the precursor complex with its structure has been discussed. Thermolysis under air was studied by thermogravimetry, and the resulting ZnO product was characterized by XRD and TEM, showing compact particles with a diameter of about 17–50 nm. [ABSTRACT FROM AUTHOR]

A new organic–inorganic complex, [CdI4]2−·[H2Bimb]2+ (KA@S) (Bimb = 1,4-bis[(1H-imidazol-1-yl)methyl]benzene), has been synthesized at ambient temperature and characterized using single-crystal X-ray diffraction (SC-XRD), elemental analysis, variable temperature powder X-ray diffraction (VT-PXRD), Fourier transform infrared (FT-IR) spectroscopy and thermal stability analysis. SC-XRD analyses reveal that KA@S has anionic and cationic moieties, [CdI4]2− and [H2Bimb]2+, respectively. C–H⋯I and N–H⋯I interactions, in addition to strong N–H⋯N and N–H⋯O hydrogen bonds and parallel displaced π⋯π stacking interactions, are instrumental towards the extended 1D chain, 2D layer and 3D supramolecular network of KA@S. Promising photocatalytic degradation efficiencies for the dyes MV (96.5%), Rh6G (94.4%), RB (93.5%), CR (91.2%) and CV (89.2%) under sunlight irradiation in 80 minutes were observed among the 13 screened harmful dyes. The detection limits for dyes were found to be 0.39 ppm (MV), 0.57 ppm (Rh6G), 0.58 ppm (RB), 0.88 ppm (CR) and 1.02 ppm (CV). It was found that KA@S is an excellent luminescent sensor for Cr2O72− anions and Hg2+ metal ions in aqueous solution at the ppm level among various probed cations and anions. The minimum detection limit (LOD) of 2.62 × 10−6 M (0.77 ppm) for Cr2O72− and 4.81 × 10−7 M (0.096 ppm) for Hg2+ metal ions were observed. [ABSTRACT FROM AUTHOR]

Abstract: Two new cadmium coordination polymers namely [Cd(HAmTrz–COO)4(NH4 +)2] 1; and [Cd(HAmTrz)2I2]n 2; (HAmTrz–COOH=3-amino-1,2,4-triazole-5-carboxylic acid), have been prepared based on HAmTrz–COOH as ligand. The crystal structures of 1 and 2 have been determined by single-crystal X-ray diffraction technique. In coordination-complex 1 four triazole ligands coordinate via N1 nitrogen leading to a tetrahedral geometry around cadmium ion, while in 2 the ligand prefers to coordinate to the metal in a bidentate bridging mode. The structures of both the coordination polymers can be envisaged as 3D hydrogen bonded networks. Thermogravimetric analysis shows that 2 is more stable than 1 owing to different coordination numbers of cadmium atoms. Photoluminescence properties of both the compounds have been investigated in the solid state. [Copyright &y& Elsevier]

Abstract: A trinuclear nickel complex {[Ni3(HAmTrz)6·6H2O]·2H2O·6NO3]} n 1 has been synthesized under hydrothermal condition and characterized by single-crystal X-ray crystallography, elemental analysis, IR, and TG/DTA. Nitrate anions of the crystal lattice are found to play an important role in the molecular self-assembly of [Ni3(HAmTrz)6.6H2O]6+ cationic building block into an overall three-dimensional network of 1 involving variety of homomeric and heteromeric , , supramolecular synthons. Furthermore, the material exhibits magnetic interaction of the Ni(II) centers existing in the whole trimeric building block. [Copyright &y& Elsevier]

Abstract: A novel 2D MOF material [Cd2(AmTRZ)2·I3]·(R4N+)] (1; AmTRZ=3-amino-1,2,4-triazole, R4N+ =tetraethylammonium), with an anionic skeleton has been hydrothermally synthesized in presence of an ionic liquid, tetraethylammonium hydroxide. 1 is endowed with large helical porous channels and two cadmium metal centers with different coordination environment around them besides showing presence of an unprecedentedly ordered extra-framework layer pattern of the encapsulated Et4N+ counter cations. [Copyright &y& Elsevier]

Abstract: Two new isostructural d10 metal complexes, M(AmThAA)2 (M=Zn(II), Cd(II); AmThAA=2-amino, 3-thiazoleacetate), with square pyramidal geometries have been synthesized and characterized by elemental analysis, single-crystal X-ray diffraction and TG analysis. Both complexes crystallize in a monoclinic crystal system, having the C 2/c space group, which by utilizing built-in hydrogen-bonding groups (−NH2 and −COO−) extends the molecular complexes into hydrogen-bonded metallo-supramolecular networks. It has been shown that heteromeric N−HO and O−HO hydrogen bonds based on and supramolecular synthons can be relied upon as effective tools for the assembly and organization of penta-coordinated complexes. Furthermore, both compounds show strong photoluminescence properties at room temperature. [Copyright &y& Elsevier]

• MOF-based selective sensor for detection of environmental contaminants. • A new MOF [Co(Cei)]nis synthesized with the ligand Bis(2-Carboxyethyl)isocyanurate at room temperaturewith face-centered cubic (fcu) topology. • [Co(Cei)]ncan effectively detect trichloroacetic acid (TCA) in model and real human urine samples showing detecting concentrations as low as 1.09 ppm in real human urine. • MOF-based photocatalyst for degradation of dyes without producing secondary pollution. • Future challenges, opportunities and perspectives discussed. The Co(II) ion was combined with the ligand Bis(2-Carboxyethyl)isocyanurate at room temperature to form a new MOF, [Co(Cei)] n. This polymer was then characterised using various techniques including FT-IR analysis, Powder X-ray diffraction, thermal analysis, and SEM-EDAX analysis. Single crystal X-ray analysis reveals that the compound [Co(Cei)] n forms a 12-c connected uninodal net with a point symbol of {324.436.56}. This net has an underlying net with face-centred cubic ( fcu ) topology, which can effectively detect TCA in human urine. Furthermore, it demonstrates exceptional specificity by detecting concentrations as low as 1.09 ppm in real human urine. Extensive study has been conducted on the recyclability and photocatalytic effectiveness of [Co(Cei)] n for the degradation of organic dyes. Out of the 13 dyes studied, the photocatalytic breakdown efficiency of [Co(Cei)] n is highest for the potentially dangerous organic dyes Neutral Red (NR), with highest percentages of degradation i.e. 93.44 %. [Display omitted] [ABSTRACT FROM AUTHOR]

Metal organic frameworks (MOFs) have become highly promising materials for a wide range of applications because of their distinct characteristics and structural adaptability. The utilization of MOFs in composite materials has the potential to expand their range of applications. This study focuses on the development of an iron-doped zinc metal organic framework (Fe@Zn-MOF-2) using a previously synthesized zinc-based MOF. The efficacy of Fe@Zn-MOF-2 was investigated for sensing Gd3+ and acetophenone, as well as its potential as an electrode material for energy storage devices. The photoluminescence sensing experiments showed a significant improvement in the efficiency of sensing Gd3+ and acetophenone when using the Fe@Zn-MOF-2 composite. The composite achieved sensing efficiencies of 97.73% and 98.45%, respectively, which were higher than the efficiencies of 33.25% and 35.71% observed when using only the Zn-MOF. Furthermore, both materials exhibited substantial disparities in specific capacitance when examined as energy storage electrodes through the methods of cyclic voltammetry (CV), galvanostatic charge–discharge (GCD) analysis, and electrochemical impedance spectroscopy (EIS). Fe@Zn-MOF-2 exhibits a specific capacitance of 318.09 F g−1, while the Zn-MOF has a specific capacitance of 33.00 F g−1. Fe@Zn-MOF-2 exhibits a specific capacitance retention of 94.57% after undergoing 2000 cycles in cyclic voltammetry. The results emphasize the capability of Fe@Zn-MOF-2 for versatile uses in sensing and energy storage. [ABSTRACT FROM AUTHOR]

Hydrogen bonding in the form of eight-membered {…HCNM}2 synthons is identified in the crystal structures of nickel and copper complexes. These C–H…M interactions lead to the formation of well-defined zero-, one- and even two-dimensional supramolecular aggregation patterns. [ABSTRACT FROM AUTHOR]

AbstractA coordination polymer (CP) based on Co(II), {[Co(Ox)(H2O)3] · 2H2O}n (KA@CP2_ARS), has been synthesized using 1,3,5-tris[(1H-imidazol-1-yl)methyl]benzene (Timb) and potassium oxonate (OxK) at room temperature which was examined by single-crystal X-ray diffraction. KA@CP2_ARS contains a one-dimensional (1-D) helical chain that is extended through hydrogen-bonding interactions to form two-dimensional (2-D) and three-dimensional (3-D) supramolecular networks. KA@CP2_ARS demonstrates highly selective luminescent performance for IPA, Co2+, MnO4–, and uric acid with detection limits of 0.214, 0.16, 0.076, and 0.65 ppm, respectively, among the screened analytes. KA@CP2_ARS displays strong photocatalytic activities for degrading 88.6% of methyl violet dye under ultraviolet irradiation. [ABSTRACT FROM AUTHOR]

• A cationic Dy complex has been synthesized successfully. • It has shown greater luminescence sensing for anions, volatile organic compounds (VOCs), nitrobenzene derivatives, and disposed antibiotics. • The complex has shown greater sensing capabilities of sucrose at 125 mg/dl. • The good photocatalytic degradation of RB, MV and CR has been seen. An unprecedented multifaceted cationic [Dy(IOA) 2 (H 2 O) 4 ]+.Or−(KA@DyCC-PS) supramolecular network that has possession of competent luminescent sensing for anions, volatile organic compounds (VOCs), nitrobenzene derivatives, and disposed antibiotics (nitrofurantoin and tetracycline). KA@DyCC-PS interestingly flaunts remarkable selective quenching of about 99.25% and 93.78% for 125 mg/dl and 100 mg/dl strength of sucrose, respectively along with other ranges in between. KA@DyCC-PS reveals remarkable ratiometric luminescence sensing for VOCs, nitrobenzene derivatives, antibiotics (nitrofurantoin and tetracycline) and sucrose. [Display omitted] [ABSTRACT FROM AUTHOR]

KA@CP-ARS manifested as remarkable luminescent sensor with maximum quenching for VOCs, Cr 2 O 7 2−, Hg2+, Creatinine, nitrofurantoin, 3-Nitro Phenol in general and sucrose (200mg/dl) in particular along with the remarkable photocatalytic degradation efficiency (96.54%) for Rose Bengal dye. [Display omitted] A new helical coordination polymer, [Cu(Or)(H 2 O) 3 ] n (KA@CP-ARS) has been synthesized at room temperature and examined using single-crystal X-ray diffraction (SC-XRD) and other analytical techniques. KA@CP-ARS formed 1D helical type structure via coordination bonding as well as a 3D supramolecular network through hydrogen bonding interactions. KA@CP-ARS manifested as a remarkable luminescent sensor for volatile organic compounds (VOCs), 3-Nitrophenol, Cr 2 O 7 2−, Hg2+, creatinine, nitrofurantoin and sucrose (200 mg/dl) in particular along with the remarkable photocatalytic degradation of Rose Bengal (RB) dye with 96.54% efficiency. Overall this study demonstrates that the synthesized Cu-orotate coordination polymer has good luminescent sensing and catalytic degradation activity, therefore could be employed for a range of applications such as sensing of biomolecules like sucrose and photocatalysis of toxic dyes. [ABSTRACT FROM AUTHOR]

Hydrothermal reaction of cadmium iodide (CdI2) and 1,3-di(4-pyridyl)propane (dpp) results in the formation of the 2-D coordination polymer [Cd2(µ-ddp)4I4]n (1) where the Cd(II) ions assume octahedral I2N4 geometries. The dpp ligands adopt anti-anti (TT) and gauche-gauche′ (GG′) conformations. Thermogravimetric analysis reveals that 1 decomposes in two steps comprising dissociation of one dpp ligand followed by complete decomposition of the framework corresponding to the remaining three dpp ligands and iodides. Polymer 1 is luminescent at 386 nm. [ABSTRACT FROM AUTHOR]

• A new coordination polymer, namely, [K(H 3 PMIDA)] n (1) has been constructed based upon PMIDA and oxonic acid potassium salt (OAK) ligand. • Remarkable selective quenching of about 92.15%, for uric acid, one of the NPN compounds, and shown enhancement for creatinine, creatine. • Selective quenching of about 89.86%, 89.55% and 88.32% anions namely, Brˉ, Clˉ and CO 3 2ˉ. The fluorescence of a unique potassium-based metal-organic framework [K(H 3 PMIDA)] n (1) , PMIDA [N-(phosphonomethyl)iminodiacetic acid hydrate] has been prepared and used as a fluorescent sensor for sensitive and selective recognition of Non-Protein Nitrogen (NPN) compounds (creatinine, creatine, uric acid) and anions (Brˉ, Clˉ, CO 3 2ˉ and Fˉ). During NPN detection, (1) displays fluorescence enhancement towards creatinine, and creatine. The detection limits for creatinine, creatine, uric acid and Brˉ, Clˉ, CO 3 2ˉ, Fˉ ions are calculated to be 0.93, 0.45, 0.72 and 0.61, 0.72, 0.16, 0.03 ppm. 3D [K(H 3 PMIDA)] n MOF reveals remarkable ratiometric luminescent sensing for NPN compounds and certain hazardous inorganic anions. [Display omitted] [ABSTRACT FROM AUTHOR]

• 2D polymer KA@CP-S2 having 4-c uninodal sql topology with point symbol of (44.62). • KS@CP-S2 exhibits effective photo-catalyst for the degradation of RB, BPB and CR. • KA@CP-S2 shows efficient sensing of organic solvents DMF, acetone and CH 3 CN. In this work, we have designed a new copper based coordination polymer (CP), {[Cu 5 (Bimb) 10 (H 2 O) 2 (HCOO) 2 ]·(H 2 O) 16 (HCOO) 8 } n (KA@CP-S2) (Bimb = 1,4-bis[(1H-imidazol-1-yl)methyl]benzene) for the degradation of organic dyes and detection of small organic solvents. KA@CP-S2 has a two-dimensional (2D)network structure.4-connected uninodal 2D sql topologyis depicted by KA@CP-S2 with the point symbol of (44.62). KS@CP-S2 exhibits effectivephoto-catalyst for the degradation of harmful dyes with degradation efficiencies of 97.7% (Rose Bengal), 95.8% (Bromophenol Blue) and 94.8%(Congo Red)from aqueous solutions under exposure of visible sun light.Importantly, sensing measurements shows that KS@CP-S2 can be employed as a luminescent sensor for accurately and consistently detectingof DMF, Acetone and CH 3 CNamong various solvents. The fluorescence quenching pathway for the solvent was established by the spectral overlap and nature of Stern-Volmer plots. Their stability and recyclability after sensing measurements are found to be excellent. The potentialdetection limits for DMF, Acetone and CH 3 CN was determined to be as low as 0.037, 0.027, 0.014 vol%, respectively. The reported 2D structure has a 4-connected uninodal 2D sql with the point symbol of (44.62), can be utilized for the photocatalytic degradation of organic dyes and detection of small organic solvents. [Display omitted] [ABSTRACT FROM AUTHOR]

• [Ni(HBTC)(Bimb)] n formed 1D chain and 2D coordination structure. • The adsorption efficiency of [Ni(HBTC)(Bimb)] n maximum for Methyl Violet (MV) is 93%. • Ni-coordination polymer's adsorption effectiveness rises exponentially as pH rises. • [Ni(HBTC)(Bimb)] n detection limit was 0.70 ppm for dye concentration (MV). • [Ni(HBTC)(Bimb)] n shows luminescent emission at 542 nm upon excitation at 380 nm. A parqueted 2D metal-organic framework [Ni(HBTC)(Bimb)] n (1) has been synthesized hydrothermally by means of Ni(II) ion with Benzene 1,3,5 tricarboxylic acid (BTC), 1,4-bis(imidazole-1-ylmethyl)benzene (Bimb) ligands. The (1) was employed as adsorbent for a series of 13 harmful organic dyes in contaminated water. The adsorption study shows that it exhibits good efficiency for cationic dyes like Methyl Violet (93.0%), Crystal Violet (92.0%),), Rhodamine B (87%), Rhodamine 6G (89.0%) and for Rose Bengal it is 90.0%, which is an anionic dye while for neutral dye i.e., Neutral Red it is 87.0% at ambient temperature and found that electrostatic attractions, π–π and H-bonding interactions are instrumental in dye uptake. The effect of pH was analyised and found that as pH increases the adsorption efficiency of Ni-coordination polymer increased exponentially. It shows maximum adsorption concentration than Rice husk (RH) and Saw dust (SD) for maximum dyes among all the 13 screened dyes. The detection limit of (1) for mostly adsorbed concentration of dyes, namely MV, CV, RB, NR, RhB and Rh6G, was found to be 0.70 ppm, 0.87 ppm, 1.06 ppm, 1.33 ppm, 1.34 ppm and 1.36 ppm, respectively and follows pseudo-first (MV, CV and RB) and pseudo-second (NR, RhB and Rh6G) order kinetics. The excellent adsorption and regeneration concert of (1) summit to be a potential and efficient future remedial material for detection and separation of toxic dyes from waste water contaminated by industrial effluents. [Display omitted] [ABSTRACT FROM AUTHOR]

The compound 1,1'-(1,3-phenylene)bis(1H-tetrazole) (1) has been grown while attempting the synthesis of a coordination polymer through metal salt mediated hydrothermal synthesis and their structures have been established by single crystal X-ray diffraction. Pillars involving each of the two independent molecules connected by π•••π contacts are pivotal in the crystal packing of (1). The computational study shows that it might lead molecules for the future drug against HIV. [ABSTRACT FROM AUTHOR]

• A new 3D MOF {[Co 3 (BTC) 2 (Bimb) 2.5 ]∙2H 2 O} n, was constructed to employ as photocatalyst in catalytic degradation of a series of aromatic cationic, neutral and anionic dyes. • The photodegradation efficiency of Co(II)-MOF was found to be maximum for Fluorescein (91.7%) and lowest for Congo Red (15.8 %). • The unique structural properties and kinetics studies suggest its imminent claim as catalyst towards the degradation of organic aromatic dyes from the waste water. • The reported MOF was established to act as future material for purification of waste water contaminated with hazardous organic pollutant. A new metal organic framework {[Co 3 (BTC) 2 (Bimb) 2.5 ] · 2H 2 O} n (1) (Bimb = 1,4-bis[(1H-imidazol-1-yl)methyl]benzene and H 3 BTC = 1,3,5-Benzenetricarboxylic acid) has been synthesized and structurally characterized by elemental analysis, single-crystal X-ray diffraction (SC-XRD), vary temperature powder X-ray diffraction (VT-PXRD) and vary temperature Fourier transform infrared spectroscopy (VT-FTIR) have been used to establish the complex (1) and its physico-chemical analysis.. According to single crystal structure analysis, complex (1) features a three-dimensional network made up of trinuclear cobalt constructed by two-dimensional layer supported by BTC3− and Bimb ligands. Variable temperature luminescence relationship of as-prepared and excited form of complex (1) investigated luminescence emission in the region of 441-461 nm (2.81-2.69 eV) at room temperature with little difference in physical facade. Field emission scanning electron microscopy (FESEM), energy-dispersive X-ray spectroscopy (EDAX), VT-PXRD and VT-FTIR studies revealed globular shaped Co 3 O 4 nanoparticles with average sizes of about 20 nm as a result of thermal breakdown of (1). The photocatalytic experiments revealed that complex (1) displayed efficient photocatalytic capabilities to decompose the Fluorescein, Eriochrome Black T, Methyl Violet, Crystal Violet, Methyl Orange, Rhodamine B, Methylene Blue, Rhodamine 6G, Neutral Red and Congo Red under UV light irradiation. The photodegradation of FS, EBT, MV, CV, MO, RhB, MB, Rh6G, NR and CR exposed to be 91.7, 77.5, 68.7, 53.9, 50.9, 50.8, 47.4, 38.1, 19.5 and 15.8 %, respectively, after 135 minutes of irradiation with as-prepared MOF (1). [ABSTRACT FROM AUTHOR]

• A new Zn based polyrotaxane 3D metal-organic framework (MOF), {[Zn 3 (BTC) 2 (Bimb) 3.5 ][Zn(HCOO)(Bimb) 1.5 ]·CH 3 COO·2(CH 3) 2 NH·2DMF·9H 2 O} n (KA@MOF-S2) has been synthesized under solvothermal conditions. • KA@MOF-S2 possesses a new 3,3,3-c net 3-nodal interpenetrated network with (122.14)(8.122)(83) 2 topology. • Detection of various concentration of sucrose, 80 mg/dl and 100 mg/dl showed highest 85.6 % and 84.7 % quenching efficiency of KA@MOF-S2. • KA@MOF-S2 can be used as a highly sensitive fluorescence sensing material for the quantitative detection of Acetone, NB, NFT, UA and sucrose. • KA@MOF-S2 showed photocatalytic degradation of Rose Bengal (RB) and Congo Red (CR) dye under sun-light irradiation. A new Zn based polyrotaxane 3D metal-organic framework (MOF), {[Zn 3 (BTC) 2 (Bimb) 3.5 ][Zn(HCOO)(Bimb) 1.5 ]·CH 3 COO·2(CH 3) 2 NH·2DMF·9H 2 O} n (KA@MOF-S2)(Bimb = 1,4-bis[(1H-imidazol-1-yl)methyl]benzene, BTC3‒ = 1,3,5-benzenzetricarboxylate) has been synthesized under solvothermal conditions. Single-crystal X-ray diffraction analysis reveals that KA@MOF-S2 exhibits a novel 1D + 3D → 3D interpenetratedPolyrotaxane MOF architecture. KA@MOF-S2 possesses a new 3,3,3-c net 3-nodal interpenetrated network with (122.14)(8.122)(83) 2 topology. KA@MOF-S2 can be used as a selective fluorescence sensing material for the quantitative detection of VOCs (Acetone, NB), antibiotic (NFT) and biomolecules (UA, sucrose) and photocatalytic degradation of Rose Bengal (RB) and Congo Red (CR) dye under sun-light irradiation. Synthesised a new KA@MOF-S2 is highly fluorescence sensing material for the quantitative detection of Acetone, NB, NFT, UA and sucrose as well as degradation of RB and CR dye under irradiation. [Display omitted] [ABSTRACT FROM AUTHOR]

Variable-temperature powder X-ray diffraction (VT-PXRD) and thermal stability were used to characterize the coordination polymer {[Cd(HBTC)(BPP)]·1.5DMF·2H2O}n (1). From the TGA analysis, as the complex shows stepwise desolvation, the polymer was activated at different specific temperatures to get various desolvated forms and their gas sorptions, as well as luminescence, were analyzed. Complex 1 exhibits strong fluorescent emission in the solid state with the main peak at 390 nm upon excitation at 340 nm. [ABSTRACT FROM AUTHOR]

• {[Z n (B imb) 3 ] · 2ClO 4 } n (KA@MOF_VS) manifested as remarkable luminescent sensor with maximum quenching for anions, cations and biomolecules. • KA@MOF_VS shows luminescent sensing of acetone, NB, 2A-5NP, NFT, Fe+3, Cr 2 O 7 2− in general and sucrose 150 mg/dl with high sensitivity in particular. • KA@MOF_VS also shows remarkable photocatalytic degradation efficiency (97.61%) for rose bengal dye. {[Z n (B imb) 3 ] · 2ClO 4 } n (KA@MOF_VS) coordination polymer have been synthesized at room temperature, using Bis(2-Carboxyethyl)isocyanurate and1,4-bis [(1H-imidazol-1-yl)methyl]benzene (Bimb) and characterised by FT-IR spectra analysis, Powder X-ray diffraction, and thermal analysis. Single crystal X-ray analysis reveals that KA@MOF_VS is having 6-connected net and giving a standard 412 ⋯ 63 pcu topology with multi-functional luminescence sensing for Acetone, NB, 2A-5NP, NFT, Fe+3, Cr 2 O 7 2− in general and sucrose 150 mg/dl with high sensitivity in particular. Photocatalytic degradation of series of toxic organic dyes has also been tested with KA@MOF_VS. The main finding of this work is a very first study of sucrose sensing in presence of anti-interfering analyte like creatine and creatinine which could be helpful in designing of materials for sucrose detection in diabetic patient in case of creatine and creatinine anomaly if present in blood. {[Z n (B imb) 3 ] · 2ClO 4 } n (KA@MOF_VS) having 6-connected net and giving a standard 412 · 63 pcu topology showing efficient luminescence sensing of 150 mg/dl sucrose with high sensitivity in presence of creatine a toxic urine metabolite. [Display omitted] [ABSTRACT FROM AUTHOR]

Three new homoleptic cadmium (II) dithiocarbamate complexes having molecular formula [Cd(KL)2], (KL1 = C15H13N1F1S2) (1); (L2 = C13H11N1F1S2) (2); (L3 = C11H14N1O1S2) (3), have been synthesized and characterized by elemental analysis, spectroscopy (IR, 1H and 13CNMR and UV–Vis). Single crystal X-ray studies confirm that the complex 1 crystallises in Orthorhombic with space group Pna21 and holding dimeric structure. In this complex Cd2+ having distorted octahedral geometry about the metal centre forms 1D coordination polymeric structures. The dimeric form of complex 2 and 3 crystallizes in triclinic crystal lattice with space group P-1. [ABSTRACT FROM AUTHOR]

Three new homoleptic complexes of nickel having the formula [Ni(L1)2] [L1 = C14H14N1O2S2-, N-(4-methoxybenzyl)(furfuryl)methane dithiocarbamate] (1), [Ni(L2)2] [L2 = C17H18N1O2S2-, N-bis(4-methoxybenzyl)methane dithiocarbamate] (2) and [Ni(L3)2] [L3 = C19H21N1O1S2-, N-(4-isopropylbenzyl)(4-methoxybenzyl)methane dithiocarbamate] (3), have been designed, synthesized, and characterized by elemental analysis, IR, 1H and 13C NMR and UV-visible absorption spectra showing that all complexes having analogous geometry and coordination number. The molecular structure of 2 is confirmed by single-crystal X-ray crystallography, which indicates that +2 charges on the metal ion (Ni2+) are balanced by dithiocarbamate anion. The X-ray analysis for 2 reveals a distorted square planar geometry around Ni2+ ion. Both C - H···S and intermolecular C-H···Ni interactions are the only artifact for the resulting Ni-dithiocarbamate architecture in 2. The electrical conductivity measurement between temperatures range of 303-393 K reflects that all complexes exhibit weak semiconducting behavior. Powder XRD, EDAX, and SEM spectra confirm the formation of NiS as thermal decomposition product in 1-3. The crystalline size of samples 1-3 was found to be 20.31 nm, 20.97 nm, and 20.39 nm, respectively. [ABSTRACT FROM AUTHOR]

Hydrothermal self-assembly of orotic acid (C 5 H 4 N 2 O 4 OrH 3 ) with metal salt Cu(Ac) 2 ·H 2 O yielded a new OrH based hydrogen bonded coordination network of formula [Cu(OrH)(2NH 3 )(H 2 O)]·H 2 O ( 1 ) and [Cu(OrH) (2NH 3 )] 2 ( 2 ). Single crystal X–ray study on 1 confirms that +2 charges on the metal ions (Cu 2+ ) are balanced by OrH anion. N–H⋯O and O–H⋯O hydrogen bonding synthons are the only artifact for the resulting hydrogen bonded copper-OrH architecture. Temperature dependent measurements of magnetic susceptibility reveals the occurrence of competitive exchange interactions with a net ferromagnetic character in 1 ( J  = +0.48 cm −1 ) and strong antiferromagnetic interaction in 2 ( J  = −4.93 cm −1 ). Magnetic superexchange interaction transmitted through equatorial–axial hydrogen bridge system promotes weak ferromagnetic interactions in 1 while in 2 it is in basal-basal position, in which two d x2-y2 orbitals is involved in exchange mechanism reveals the coexistence of two antiferromagnetic exchange pathways, intramolecular much stronger than intermolecular. The natural bond orbital (NBO) analysis applied separately to α and β spin density matrices clearly shows two important magnetic superexchange pathway with shorter Cu⋯Cu contact 5.542(4) Å and 4.845(4) Å or 5.755(1) Å in ( 1 ) and inter dimer 6.665(1) Å and 4.6744(9) Å for ( 2 ). [ABSTRACT FROM AUTHOR]

Assembly of orotic acid (H3Or, 1,2,3,6-tetrahydro-2,6-dioxo-4-pyrimidinecarboxylic) and Cd(NO3)·6H2O yielded a coordination polymer, [(Cd(Hor)·2.5H2O)2]n (1), which has been characterized by X-ray single-crystal diffraction, TGA, and fluorescence spectra. Single-crystal X-ray structural analyses reveal that 1 is a hydrogen-bonded binuclear Cd-orotate coordination polymer in which both Cd2+ ions have different coordination environments with identical distorted octahedral geometry. Crystal data for 1: monoclinic, space group P21/n, a = 7.0209(10) Å, b = 13.974(2) Å, c = 17.541(3) Å, β = 98.842(2)°, V = 1700.5(4) Å, Z = 4, R1 = 0.0269, wR2 = 0.0612, θmax = 25.960. The emission spectrum of the Cd-complex recorded with 265 nm excitation wavelength reveals the complex has strong blue luminescence with the peak maximum 420 nm (2.95 eV) as a result of the n–π* and π–π* transitions on the H3Or ligand. [ABSTRACT FROM AUTHOR]

• The kinetic studies of [Ni(2-picolinate).H 2 O].H 2 O] showed the degradation percentage of cationic dyes, crystal violet (94%), methyl blue (92%), methyl violet (90%), safranine O (88%), whereas 82% in neutral red. • The detection limit for mostly degraded dye concentration, namely CV, MB, MV, NR, & SO, was found to be 0.58 ppm, 0.77 ppm, 1.05 ppm, 1.25 ppm and 1.75 ppm respectively. • Compound (1) can be reused at least five times and still exhibit excellent structural stability so it could be an excellent photocatalyst for the degradation of toxic organic dyes from contaminated water. A complex of nickel(II) with picolinic acid, [Ni (0.5) (2-picolinate)(H 2 O)]·H 2 O (1) was sythesized hydrothermally and were inspected for the photocatalytic removal of a series of 13 toxic organic dyes. Single crystal XRD analysis shows that (1) is monoclinic in nature. It exhibits good photocatalytic activity and kinetic studies showed the degradation percentage of cationic dyes, Crystal Violet (94%), Methylene Blue (92%), Methyl Violet (90%), Safranine O (88%), whereas 82% in Neutral Red which is a neutral dye, after the 150 min of irradiation. The pH effects were also investigated on the colorant concentration in presence of (1) in room illumination after 150 min of all the organic dyes. During the five recycling stages, the catalyst exhibited excellent structural stability and its performance remained great. The kinetic studies of [Ni(2-picolinate).H 2 O].H 2 O] showed the degradation percentage of cationic dyes, Crystal Violet (94%), Methyl Blue (92%), Methyl Violet (90%), Safranine O (88%), whereas 82% in neutral red which is a neutral dye, after the 150 min of irradiation out of all 13 screened dyes. The detection limit for mostly degraded dye concentration, namely CV, MB, MV, NR, & SO, was found to be 0.58 ppm, 0.77 ppm, 1.05 ppm, 1.25 ppm and 1.75 ppm respectively which shows its unique feature as photocatalyst without any additive like H 2 O 2 etc. [Display omitted] [ABSTRACT FROM AUTHOR]

The synthesis and characterization of new supramolecular networks based on mixed ligands as orotate with 1,3-di(4-pyridyl)propane or malonic acid are reported. Both coordination polymers was characterized using X-ray crystallography, magnetic measurements, electron paramagnetic resonance, and density functional theory calculations. The significant role of hydrogen bonding O H⋯O and N H⋯O in formation of 2D coordination network and magnetic exchange pathway was found. [Display omitted] Two new coordination network based on mixed ligands, orotic acid potassium salt with 1,3-Di(4-pyridyl)propane (dpp) and malonic acid at room temperature were synthesized as [Cu 2 (dpp)(HOr) 2 ·2H 2 O]n (1) and [Cu(HOr)(H 2 O) 2 ]n (2) respectively. To strategically design and synthesize Cu(II)-coordination networks where N H⋯O and O H⋯O hydrogen bonds act as connecting tools in the construction of three dimensional networks have been discussed. The both complexes have been characterized by single crystal X-ray analysis, elemental analysis, magneto-structural study along with EPR study. The magnetic data reveals that the complex 1 shows antiferromagnetic exchange interactions while complex 2 shows ferromagnetic exchange interaction through {⋯H N C O} dimer. The DFT calculation and HOMO/LUMO molecular orbitals analysis is used to rationalized the magnetic behavior in these coordination polymers. [ABSTRACT FROM AUTHOR]

• Magneto-structural analyses of two coordination polymers based on Orotic acid are well explored. • Cu-orotate is first anionic, orotate based coordination polymer exhibit weak ferromagnetic behavior. • Ni-orotate coordination polymer becomes evidence for weak antiferromagnetic behavior. • DFT calculation underline the pathway of magnetic exchange interactions through N—H⋯O, O—H⋯O supramolecular synthons and confirm that the magnetic interactions propagate through such contacts in complex 1 and 2. Orotato based coordination network of formula [Cu(HOr) 2 2−. 2(CH 3) 2 ―NH 2 + n (1), and [Ni(HOr) . 3H 2 O] n (2), have been synthesized hydrothermally by self-assembly of orotic acid (H 3 Or) with metal salts Cu(OAc) 2 . H 2 O and Ni(NO 3) 2 • 6H 2 O respectively. Single crystal X-ray study confirms that in 1 electroneutrality is obtained with a compensating cation i.e. (CH 3) 2 ‒NH 2 + and trans-trans μ2η1:η1 bridging carboxylate extend the Cu-Orotate moiety into 2D coordination network showing square lattice topology (sql) which through { ... H‒N‒C = O} dimer yields into 3D hydrogen bonded coordination polymer.Temperature dependent measurements of magnetic susceptibility reveals the occurrence of competitive exchange interactions with weak ferromagnetic character in 1 (J = +0.31 cm–1) and weak antiferromagnetic interaction in 2 (J = - 0.52 cm–1). The dominantzero – field splitting effect is observed in Ni(II) ion. Two important magneticsuper exchange pathway transmitted through carboxylate oxygen of ligand through N‒H ... O, and O‒H ... O supramolecular synthons along with long Cu•••Cu separation of 6.635 Å (1) or Ni•••Ni separation of 7.700 Å (2). The DFT calculation analysis is used to rationalized the magnetic behavior in these coordination polymers. Image, graphical abstract [ABSTRACT FROM AUTHOR]

A novel, potassium orotate (OrK) and 1,3 di (4-pyridyl) propane (dpp) based, coordination network of Zn synthesized at room temperature. The emission spectrum of the Zn-complex recorded with 290 nm excitation wavelength reveals that complex has strong luminescence with the peak maximum 380 nm (3.2627 eV) and thermal stability of 1 upto 350 °C owing to different coordination environment around zinc atoms and crystal packing. • The syn-anti μ2η1:η1 bridging carboxylate and pyridyl extended the Or-Zn-dpp moiety into 2D coordination network showing square grid sheet. • The emission spectrum of Zn-complex was recorded with 290 nm excitation wavelength which reflects that 1 has strong luminescence with peak maximum of 380 nm (3.2627 eV). A novel mixed ligand based coordination network of Zn, having formula [Zn 8 (Or) 8 (dpp) 4 (H 2 O) 8 n (1), have been engineered and synthesized at room temperature by self-assembly of potassium orotate (OrK) and 1,3 di(4-pyridyl)propane (dpp) with metal salt, Zn(OAc) 2 ·2H 2 O Single crystal X-ray structural analysis reveals that coordination sphere around Zn(II) ions, in Or-Zn-dpp moiety, having different atomic arrangement with distorted square pyramidal geometry. The syn-anti μ2η1:η1 bridging carboxylate and pyridyl moieties extended the Or-Zn-dpp skeleton into 2D coordination network showing square grid sheet. The emission spectrum of Zn-complex was recorded with 290 nm excitation wavelength which reflects that 1 has strong luminescence with peak maximum of 380 nm (3.2627 eV) and is a result of the n – π * and π – π * transitions of H 3 Or and dpp ligand. Thermogravimetric analysis shows that when the coordinated water molecule completely comes out from the complex around 320 °C, the dehydrated forms steadily starts to degrade, and the complete decomposition is observed above 350 °C. [ABSTRACT FROM AUTHOR]

Three new homoleptic complexes having formula [M(L1) 2 ] [ L1 = (C 13 H 18 N 1 O 3 S 2 −)] with Zn, Cd and Hg have been designed, synthesized and characterized by elemental analysis, IR, 1H and 13C NMR and UV–visible absorption spectra. The single crystal X-ray study of complex 3 indicates that positive charges on the mercury cation (Hg2+) are balanced by dithiocarbamate anion. The X-ray analysis for complex 3 confirms distorted tetrahedral geometry around metal centre. The C–H ⋯ S intermolecular interaction in this complex is 2.974 Å and H ⋯ H distance is 2.202 Å contribute towards supramolecular structure in 3. Powder XRD, EDAX and SEM image confirms the formation of metal sulfide as thermal decomposition product in complexes 1–3 and the crystalline size were found to be 48.96 nm, 39.39 nm and 41.81 nm, respectively. • Dithiocarbamate derivatives complexes of Zn(II),Cd(II) and Hg(II) are synthesized. • The thermal decomposition of complexes 1–3 yield ZnS, CdS, and HgS. • Powder XRD, EDAX and SEM spectra of 1–3 confirms that the metal sulphides are nanometer in range i.e. be 48.96 nm, 39.39 nm and 41.81 nm, respectively. [ABSTRACT FROM AUTHOR]