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Objective: To provide an X-ray diffraction (XRD) method for identifying different medicinal parts of Solanum lyratum., Methods: Analyzed X-ray diffraction Fourier patterns of different parts of Solanum lyratum, and the similarity degree of different fingerprint was calculated and analyzed according to the position (2 theta value)of peaks searched., Results: Different X-ray diffraction Fourier patterns of different medicinal parts of Solanum lyratum were obtained., Conclusion: This method can be used for identifying different medicinal parts of Solanum lyratum. The results of similarity calculation further proves the feasibility of this method.

Objective: To establish a new identification and analysis method of gypsum fibrosum, gypsum fibrosum praeparatum, pulvis talci and gypsum fibrosum blended with pulvis talci., Methods: Powder X-ray diffraction fingerprint spectra method., Results: Experiments and analysis were carried out on four samples. The standard X-ray diffraction fingerprint spectra and characteristic diffraction peaks of each sample were obtained., Conclusion: The experimental result indicates that X-ray diffraction fingerprint spectra can be used to identify and analyze gypsum fibrosum, gypsum fibrosum praeparatum, pulvis talci and gypsum fibrosum blended with pulvis talci.

Two new salts based on [Ni(tdas)2]2−(tdas2−= 1, 2, 5-thiadiazole-3,4-dithiolate), [4FBz-4EtPy]2[Ni(tdas)2](1) and [4BrBz-4EtPy]2[Ni(tdas)2] (2), have been prepared by reaction of Na2tdas, NiCl2.6H2O, and [4RBz-4EtPy]Br([4RBz-4EtPy]+= 4-R-benzyl-4′-ethylpyridinium, R = F(1), Br(2)), and characterized by elemental analysis, IR, UV-Vis, EI-MS spectra, and single-crystal X-ray diffraction. Two salts crystallize in different systems with the different stacking modes of the anions and the cations. The [4FBz-4EtPy]+cations in1form a 1D chain through C−H···F hydrogen bonds, while the [Ni(tdas)2]2−anions form a 1D chain in 2 through intermolecular short S···S interactions. Some other intra-molecular contacts such as C−H···S, C−H···N, C–H···Ni, π···π, S···N, and S···Br weak interactions in1and2play an important role in the stacking of the molecules and give further rise to a network 3D structure. [ABSTRACT FROM AUTHOR]

Two hybrid salts, [2ClBzTPP]2[Ni(i-mnt)2] (1) and [4ClBzTPP]2[Ni(i-mnt)2] (2), were obtained in crystalline form by the reaction of disodium iso-maleonitriledithiolate (K2(i-mnt)) with nickel(II) chloride hexahydrate and 1-(2′-chlorobenzyl)triphenyl-phosphonium or 1-(4′-chlorobenzyl)triphenylphospho-nium bromide ([2ClBzTPP]Br/[4ClBzTPP]Br) in methanol. Two salts were characterized by elemental analyses, UV, IR, ESI-MS, molar conductivity, and single-crystal X-ray diffraction. Both salts crystallize in the triclinic space groupP-1 and the central Ni(II) ion has a distorted square planar coordination geometry. Lattice stability is provided by weak interactions observed in 1 and 2 such as C-H···S, C-H···Cl, and C-H···Ni hydrogen bonds and π···π orp···π interactions, which results in the forming of a 3D network structure. [ABSTRACT FROM PUBLISHER]

Two new complexes of tetra(isothiocyanate)cobalt(II) dianion and meta-substituted benzyl triphenylphosphinium, [3BrBzTPP]2[Co(NCS)4] (1) and [3CNBzTPP]2[Co(NCS)4] (2) ([3BrBzTPP]+= 1-(3′-bromobenzyltriphenylphosphonium and [3CNBzTPP]+= 1-(3′-cyanobenzyltriphenylphosphonium), were prepared and characterized by elemental analysis, FT–IR, UV-vis spectra, ESI-MS, and single-crystal X-ray diffraction method. Both 1 and 2 crystallize in monoclinicP2(1)/c, and the Co(II) ion of the [Co(NCS)4]2−anion shows a distorted tetrahedral coordination geometry. The C-H···S hydrogen bonds and p···π interaction found in 1 and 2 consolidate the stacking of the crystal. Magnetic susceptibility measurement in the temperature range 2–300 K shows that 1 and 2 exhibit a weak antiferromagnetic coupling behavior. [ABSTRACT FROM PUBLISHER]

Two new salts containing tetrachlorocobaltate(II) anion, [4FBz TPP]2[CoCl4](1) and [4ClBzTPP]2[CoCl4]·3H2O(2) ([4FBzTPP]+= 1-(4’-flurobenzyl)triphenylphosphonium; [4ClBzTPP]+= 1-(4’-chlorobenzyl)triphenylphosphonium), have been prepared and characterized by elemental analysis, IR, UV-Vis, ESI-MS, molar conductivity, and single-crystal X-ray diffraction. Compound 1 crystallizes in the monoclinic system with space groupP21/c, whereas 2 crystallizes in the triclinic system with space group P-1. The [CoCl4]2– anion in two salts exhibits a distorted tetrahedral coordination geometry. The C‒H···Cl, O‒H···Cl, and O‒H···O hydrogen bonds, p···π and π···π interactions, or O···O and Cl···O in 1 and 2 consolidate the crystal packing and give further rise to a 3D network structure. [ABSTRACT FROM PUBLISHER]

Two new tetrachlorocuprate(II) salts, [BzDMAP]2[CuCl4](1) and [4FBzDMAP]2[CuCl4](2) ([BzDMAP]+ = 1-benzyl-4-dimethylaminopyridinium; [4FBzDMAP]+ = 1-(4′-fluorobenzyl)-4-dimethylaminopyridinium), have been prepared and characterized by elemental analysis, IR, MS, single-crystal X-ray diffraction and magnetic susceptibility. Compound 1 crystallizes in the monoclinic system with space group P21/n, while 2 crystallizes in the orthorhombic system with space group P212121. These two salts comprise one [CuCl4]2– anion and two cations, and the [CuCl4]2– anions exhibit distorted tetrahedral coordination geometry. The C˭H···Cl, C˭H···π hydrogen bonds and π···π stacking interactions in the crystal play important roles in the stacking and stabilization of the two salts, and give rise to a 3D network structure. Magnetic susceptibility measurements in the temperature range of 2–300 K show that both 1 and 2 exhibit a ferromagnetic coupling behavior. [ABSTRACT FROM PUBLISHER]

Two tetrachlorocuprate(II) salts with substituted methyl pyridinium, [Bz-2-MePy]2[CuCl4] (1) and [Bz-4-MePy]2[CuCl4] (2) ([Bz-2-MePy]+ = 1-benzyl-2'-methylpyridinium; [Bz-4-MePy]+ = 1-benzyl-4'-methylpyridinium), were synthesized and characterized by elemental analysis, infrared (IR), mass spectroscopy (MS), and single-crystal x-ray diffraction. Compound 1 crystallizes in the tetragonal system with space group P4/n, while compound 2 crystallizes in the orthorhombic system with space group Pna21. The [CuCl4]2- anion in 1 and 2 exhibits a distorted tetrahedron geometry. Some weak hydrogen bonds such as C--H···Cl, and N--H···Cl between the anion and cation were observed in 1 and 2. In addition, two salts show good antibacterial activities for Colibacillus and Aurococcus. [ABSTRACT FROM AUTHOR]

Two new salts, [NO2BrBzPy]2[M(mnt)2] ([NO2BrBzPy]+= 1-(2'-bromo-4'-nitrobenzyl)pyridinium; mnt2-= maleonitriledithiolate; M = Ni(1), Pd(2)) have been prepared and characterized by elemental analyses, IR, UV, ESI-MS spectra, TG, and single-crystal X-ray diffraction. The results reveal that when the metal ion is changed from Ni(II) to Pd(II), the crystal system, and the dihedral angles between the phenyl and pyridine rings and the C-C-N reference plane of the cation, and the stacking modes of the anions and the cations are evidently different. Some weak interactions such as C-H···Br, C-H···O, C-H···N and C-H···S hydrogen bonds, p[image omitted] or [image omitted] stacking interactions in 1 and 2 play important roles in the molecular stacking and generate a 2D structure. [ABSTRACT FROM AUTHOR]

Two tetrabromocuprate (II) salts with substituted benzyl pyridinium, [BzPy]2[CuBr4](1) and [4NO2BzPy]2[CuBr4](2) ([BzPy]+ = 1-benzylpyridinium; [4NO2BzPy]+ = 1-(4'-nitrobenzy- lpyridinium), were synthesized and characterized by elemental analysis, IR, MS, and single-crystal X-ray diffraction. The two salts comprise a [CuBr4]2-anion and two cations, and the [CuBr4]2-anion exhibits a distorted tetrahedral coordination geometry. The weak interactions such as p...π, π...π, C-H...π, C-H...Br or C-H...O hydrogen bonds play important roles in the stacking and stabilization of the two salts, and give rise to a 3D network structure. In addition, the two salts show good antibacterial activities for colibacillus, aurococcus, bacillus subtilus and bacillus thuringiensis. [ABSTRACT FROM AUTHOR]

A new salt, [BrBzTPP][CuBr3](1) ([BrBzTPP]+ = 1-(4'-bromobenzyl)triphenylphosphinium), was simply synthesized by the direct reaction of CuBr2 and [BrBzTPP]Br in methanol and characterized by elemental analyses, IR, MS spectra and single crystal X-ray diffraction. The crystal is monoclinic space group, P21/c, a = 9.279(1) Å, b = 16.129(2) Å, c = 17.545(3) Å, β = 101.54(1)°, V = 2572.7(7) Å3, Z = 4. The Cu(II) ions of the title complex form a dimer with Cu···Cu distance of 3.597 Å through Cu··Br coordination bond, while the [BrBzTPP]+ form a 1D chain by weak C-H···π hydrogen bond with a H···π distance of 3.098 Å. [ABSTRACT FROM AUTHOR]

A new ion-pair complex, [BzTPP]2[Ni(i-mnt)2](1) (i-mnt2- = iso-maleonitriledithiolate, [BzTPP]+ = benzyltriphenylphosphinium) was synthesized and characterized by elemental analysis, IR, UV, EI-MS spectra and single crystal X-ray diffraction. The single-crystal structural analysis shows that 1 crystallizes in the triclinic space group P-1, with a = 9.466(1) Å, b = 10.196(1)Å, c = 29.252(3)Å, α = 99.28(1)ˆ, β = 93.96(1)ˆ, γ = 106.34(1)ˆ, V = 2654.3(4)Å3, Z = 2. The Ni(II) ions of the [Ni(i-mnt)2]2 - anion adopted a square-planar coordination geometry. Four weak C─H...N hydrogen bonds between the anions and the cations observed in the crystal give further rise to a 3D structure. [ABSTRACT FROM AUTHOR]

Abstract: In this paper a preparation method for CuInS2 films by reactive sputtering together with vacuum rapid annealing was presented, and the surface morphology, microstructure, composition and photo-electrical characteristics of the CuInS2 films were investigated. X-ray diffraction (XRD) analyses revealed that the annealed samples are CuInS2 with the single chalcopyrite phase and a preferential crystalline orientation along (112). The free-void and compact film with the grain size of about 200 nm, as shown by scanning electron microscopy and stylus profiler (α-step) measurements, has been obtained by optimizing the processing parameters. The samples were also characterized by energy dispersive X-ray analysis, showing the constituent ratio [Cu+In]/[S] and [Cu]/[Cu+In] of about 1 and 0.5, respectively. All CuInS2 films have a good homogeneity in shape and size of the grains and in distribution of constituent and defects as revealed by fourier transform infrared spectrometer analysis. The experiment indicated that the reactive sputtering together with vacuum rapid annealing treatment is beneficial to promote genuine realization of the large-scale production of the ultra-high efficiency Cu-III-VI2 thin film solar cells. [Copyright &y& Elsevier]

Abstract A new organic crystal, [BzTPP][PIC](1) ([BzTPP]+ = benzyl triphenylphosphinium, [PIC]- = picrate), has been grown by slow evaporation solution growth technique. Single crystal XRD reveals that it belongs to monoclinic system with P 2 1 / c. The two neighboring [BzTPP]+ cations from a dimer through C-H···π interaction while anions stack into a columnar structure through N⋯O, O⋯O and π···π interaction. The anions and cations form a column structure alternately in ···AC-AC-AC-AC··· sequence through C-H⋯O hydrogen bonds. The experimental vibrational bands (IR and Raman) have been discussed and assigned based on DFT calculations. The HOMO-LUMO energy gap explains the charge transfer interactions in the molecule. The thermal stability of the hybrid crystal was analyzed by TG-TDA-MS technique and revealed that the title crystal was stable up to 290 °C. The fluorescence spectra reveal three main emission peaks at 295, 388 and 543 nm upon excitation at 250 nm in solid state at room temperature. The energy of weak interactions in the molecule and nonlinear optical properties were studies using DFT calculations. Graphical abstract Image 1 Highlights • A organic crystal of benzyl triphenylphosphinium picrate salt was synthesized and characterized. • The detailed interpretation of IR and Raman spectra and emission spectra of the crystal was reported. • The HOMO-LUMO energy gap explains the charge transfer interactions in the molecule. • The energy of weak interactions in the molecule and nonlinear optical properties were studies using DFT calculations. • The title crystal show main emission peaks about 295, 388 and 543 nm in solid state at room temperature. [ABSTRACT FROM AUTHOR]

Abstract: Two tetrachlorocuprate(II) salts, [4-RBzPy]2CuCl4 ([4-RBzPy]+ =4-R-benzylpyridinium, R=Cl(1), NO2(2)), have been prepared and characterized by elemental analysis, IR, MS, single-crystal X-ray diffraction and magnetic susceptibility. Compound 1 crystallizes in the orthorhombic system with space group Pca21, while 2 in the monoclinic P21/c. Two salts comprise a tetrahedral [CuCl4]2− anion and two flexuous [4-RBzPy]+ cations. The cations both 1 and 2 form a column through p⋯π and π⋯π interactions, while the [CuCl4]2− anions only in 2 form a dimer through Cl⋯Cl interaction. The C–H⋯Cl and C–H⋯Cu weak hydrogen bonds between the anions and the cations give further rise to a 3D network structure. Magnetic susceptibility measurements in the temperature range 2–300K show that 1 exhibits a ferromagnetic coupling behavior with θ =3.57K, while 2 shows an antiferromagnetism with J =−11.09cm−1. [Copyright &y& Elsevier]