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Full-Text Articles in Physical Sciences and Mathematics
(E)-3-[(3-(Trifluoromethyl)Phenylimino)Methyl] Benzene-1,2-Diol: X-Ray And Dft Calculated Structures, Başak Koşar, Çi̇ğdem Albayrak, Mustafa Odabaşoğlu, Orhan Büyükgüngör
(E)-3-[(3-(Trifluoromethyl)Phenylimino)Methyl] Benzene-1,2-Diol: X-Ray And Dft Calculated Structures, Başak Koşar, Çi̇ğdem Albayrak, Mustafa Odabaşoğlu, Orhan Büyükgüngör
Turkish Journal of Chemistry
The crystal structure of (E)-3-[(3-(Trifluoromethyl)phenylimino)- methyl]benzene-1,2-diol was determined using X-ray diffraction and the molecular structure was investigated with density functional theory (DFT). The X-ray study showed that the title compound has a strong intramolecular O-H...N hydrogen bond and 3-dimensional crystal networks are primarily determined by O-H...O intermolecular hydrogen bonds and weak van der Waals interactions. The strong O-H...N bond is evidence of the preference for the phenol-imine tautomeric form in the solid state. Optimized molecular geometry was calculated with DFT at the B3LYP/6-31G(d,p) level. The results from both experiment and theoretical calculations for the title compound are compared with each …
Synthesis And Spectroscopic Studies Of Some New Organometallic Chelates Derived From Bidentate Ligands, Kiran Singh, Parvesh Puri
Synthesis And Spectroscopic Studies Of Some New Organometallic Chelates Derived From Bidentate Ligands, Kiran Singh, Parvesh Puri
Turkish Journal of Chemistry
A series of organosilicon(IV) and organotin(IV) complexes having the formulae R_2MCl(L^1), R_2MCl(L^2), R_2MCl(L^3), R_2MCl(L^4), R_2M(L^1)_2, R_2M(L^2)_2, R_2M(L^3)_2, and R_2M(L^4)_2, where M = Si and Sn, and R = CH_3, were synthesized with Schiff bases 5-mercapto-4-(pyridine-2-carboxalideneamino)-s-triazole (HL^1), 4-(furfuralideneamino)-5mercapto-s-triazole (HL^2), 4-(2-chlorobenzylideneamino)-5-mercapto-s-triazole (HL^3), and 4-(4-flourobenzylideneamino)-5-mercapto-s-triazole (HL^4). These complexes were characterized by elemental analysis, molar conductance, and spectroscopic studies, including UV, IR, ^1H, ^{13}C, ^{29}Si, and ^{119}Sn NMR spectroscopy. On the basis of these studies, the resulting complexes are proposed to have trigonal bipyramidal and octahedral geometries.