Ara
Toplam kayıt 113, listelenen: 51-60
Theoretical investigation of thione-thiol tautomerism, intermolecular double proton transfer reaction and hydrogen bonding interactions in 4-ethyl-5-(2-hydroxyphenyl)-2H-1,2,4-triazole-3(4H)-thione
(Elsevier, 2013)
The thione-thiol tautomerism and intermolecular double proton transfer reaction for the title triazole compound were studied at the B3LYP level of theory using 6-311++G(d,p) basis function. The solvent effect on the proton ...
Dioxouranium(VI) complexes with N2O2 chelating thiosemicarbazones [UO2L(R-OH)]
(Taylor & Francis Ltd, 2013)
Three alkylated thiosemicarbazones (1-3) substituted on sulfur were synthesized using 5-bromosalicylaldehyde as starting material. The template reactions of the S-alkyl-thiosemicarbazones in the presence of dioxouranium(VI) ...
Supramolecular nickel complex based on thiosemicarbazone. Synthesis, transfer hydrogenation and unexpected thermal behavior
(Pergamon-Elsevier Science Ltd, 2016)
The cationic thiosemicarbazone complex of nickel containing triphenylphosphine as coligand was synthesized through the isopropanol-assisted hydrogen transfer reaction. The thiosemicarbazone ligand (LH2) and its cationic ...
Functionalized imidazolium and benzimidazolium salts as paraoxonase 1 inhibitors: Synthesis, characterization and molecular docking studies
(Pergamon-Elsevier Science Ltd, 2016)
Paraoxonase (PON) is a key enzyme in metabolism of living organisms and decreased activity of PON1 was acknowledged as a risk for atherosclerosis and organophosphate toxicity. The present study describes the synthesis, ...
Divalent nickel complexes of thiosemicarbazone based on 5-bromosalicylaldehyde and triphenylphosphine: Experimental and theoretical characterization
(Pergamon-Elsevier Science Ltd, 2016)
Two nickel(II) complexes containing 5-bromosalicylidene-N-methyl-S-methyl-isothiosemicarbazone (H(2)SMeNMeTsc) and 5-bromosalicylidene-N-methyl-thiosemicarbazone (H(2)NMeTsc) with triphenylphosphine were synthesized. The ...
Synthesis, molecular structure, spectroscopic characterization, NBO, NLO and NPA analysis and in vitro cytotoxicity study of 3-chloro-N-(4-sulfamoylphenethyl)propanamide with experimental and computational study
(Elsevier Science Bv, 2016)
In present work, the sulfonamide compound, 3-chloro-N-(4-sulfamoylphenethyl)propanamide, has been synthesized and characterized by FT-IR, H-1-NMR, C-13-NMR, UV-vis and X-Ray single crystal determination. The compound ...
Quantum chemical study of tautomerism in 2-[(4-phenylthiazol-2-yl)hydrazonomethyl] phenol
(Elsevier Science Bv, 2016)
The relative stabilities of five tautomers of 2-[(4-phenylthiazol-2-yl)hydrazonomethyl]phenol were calculated at the B3LYP/6-311+G(d,p) and MP2/6-311+G(d,p) levels of theory. The possible tautomeric transformations were ...
Synthesis, Structural, and Spectroscopic (FT-IR, NMR, and UV) Characterization of 1-(Cyclohexylmethyl)-2-(pyridin-2-yl)-1H-benzo[d]imidazole by Experimental Techniques and Quantum Chemical Calculations
(Pleiades Publishing Inc, 2016)
The title compound (II), 1-(cyclohexylmethyl)-2-(pyridin-2-yl)-1H-benzo[d]imidazole (C19H21N3), was synthesized via N-alkylation of 2-(pyridin-2-yl)-1H-benzo[d] imidazole (I). Both compounds I and II were characterized by ...
Spectroscopic, electrochemical and X-ray diffraction studies on nickel(II)-complexes of acetophenone thiosemicarbazones substituted six-carbon groups
(Elsevier Science Sa, 2016)
Reactions of [Ni(PPh3)(2)Cl-2] with 3-Bromo-5-chloro-2-hydroxyacetophenone-N-4-hexyl ((LH2)-H-1), cyclohexyl (L2H2) and phenyl ((LH2)-H-3)-thiosemicarbazones resulted in four coordinated (ONSP) nickel(II) complexes, ...
Investigation of enol-imine/keto-amine tautomerism in (E)-4-[(2-hydroxybenzylidene)amino]phenyl benzenesulphonate by experimental and molecular modelling methods
(Taylor & Francis Ltd, 2016)
The Schiff base compound (E)-4-[(2-hydroxybenzylidene)amino]phenyl benzenesulphonate has been synthesised from the reaction of 4-aminophenyl benzenesulphonate and salicylaldehyde, and characterised by spectroscopic and ...