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Abstract: Structure, magnetic and optical properties of tetraphenylborate salts of 2,5-[1-methyl-4-[2-(4-hydroxyphenyl)ethenyl]piridinium]-propane and butane are performed in gas and condense phase by means of solution and solid-state conventional and linear-polarized IR-spectroscopy of oriented colloids in nematic liquid crystal suspension, UV–vis and fluorescence methods, HPLC tandem ESI mess spectrometry (MS/MS), 1H, 13C and 1H–1H COSY NMR, TGV and DSC methods. Quantum chemical DFT calculations are used for performing of the structures, optical and nonlinear optical properties of the studied compounds. [Copyright &y& Elsevier]

Abstract: Structural and spectroscopic elucidation of merocyanine dye, 2,5-[1-metyl-4-[2-(4-hydroxyphenyl)ethenyl)]piridinium]-hexane tetraphenylborate, is performed in gas and condense phase by means of solution and solid-state conventional and linear-polarized IR-spectroscopy of oriented colloids in nematic liquid crystal suspension, UV–vis and fluorescence methods, HPLC MS/MS tandem and ESI mass spectrometry, 1H, 13C and 1H–1H COSY NMR, TGV and DSC methods. Quantum chemical DFT calculations are performed for structural optimization and spectroscopic properties prediction. [Copyright &y& Elsevier]

Twelve new Au(III), Pt(II) and Pd(II) complexes with glycyl-containing homopeptides glycyl-glycine (G2), glycyl-glycyl-glycine (G3), glycyl-glycyl-gycyl-glycine (G4), glycyl-glycyl-glycyl-glycyl-glycine (G5) and glycyl-glycyl-glycyl-glycyl-glycyl-glycine (G6) have been synthesized, isolated and characterized spectroscopically and structurally by means of solid-state linear-dichroic infrared (IR-LD) spectroscopy of oriented colloids in nematic liquid crystal host, 1H- and 13C-NMR, TGA and DSC, UV-Vis spectroscopy, EPR, ESI- and FAB mass spectrometry and HPLC tandem mass spectrometry (HPLC-MS/MS). Quantum chemical calculations are carried out with a view to obtain the structures and spectroscopic properties of the ligand and newly synthesized metal complexes. [ABSTRACT FROM AUTHOR]

Abstract: The novel, 1-methyl-4-[2-(4-hydroxyphenyl)ethenyl]pyridinium dihydrogenphosphate salt was synthesized and its structure and properties elucidated spectroscopically, thermally and structurally, using single crystal X-ray diffraction, linear-polarized solid-state IR spectroscopy (IR-LD), UV–vis spectroscopy, TGA, DSC, DTA and MS. The compound crystallizes in the monoclinic P21/c space group and exhibits a pseudo layer structure with molecules linked by strong OH⋯O–P intermolecular hydrogen bonds of length 2.593Å. The dihydrogenphosphate anions themselves form infinite chains through strong OH⋯O–P intermolecular hydrogen bonds of lengths 2.636 and 2.658Å. The crystallographic disorder of these systems and its effect on IR-LD spectra in the solid state are discussed. Solutions of different polarity show a significant CT band shift of up to 70nm, corresponding to a molecular first hyperpolarizability value. [Copyright &y& Elsevier]

Abstract: Counterions affect on the substructures formation in the case of the merocyanine dye, 1-methyl-4-[2-(4-hydroxyphenyl)ethenyl)]piridinium] hydrogensquarate both in gas and condense phase. Spectroscopically and structural elucidation of these aggregates have been performed, using solid-state conventional and linear-polarized IR-spectroscopy of oriented colloids as a nematic liquid crystal suspension, UV–vis spectroscopy, HPLC tandem ESI mass spectrometry, 1H and 13C NMR, TGV and DSC. Quantum chemical DFT calculations have been carried out as well. Experimental and theoretical data are compared with analogous ones of corresponding iodide salt of dye studied. [Copyright &y& Elsevier]

Dipeptides glycyl-L-serine and L-seryl-L-tyrosine are tridentate ligands in coordination with Cu(II) through their NH2-, N-(from deprotonated amide group) and O-atom (by COO- group), forming [CuII(LH-1)H2O]. The forth position of square-planar geometry of Cu2+ is occupied by H2O as terminal ligand. Solid-state linear dichroic IR-spectroscopy, UV-Vis, mass spectrometry with ESI and FAB, tandem mass spectrometry (HPLC-MS/MS), TGV and DSC methods, EPR and magnetochemistry data prove the formation of five-membered chelate rings with participation of Cu2+ both in solution and in solid state. [ABSTRACT FROM AUTHOR]