Search
Now showing items 1-6 of 6
Molecular structure, spectroscopic and density functional studies on 2-{[(5-nitrothiophen-2-yl)methylidene]amino}phenol
(Elsevier Gmbh, 2019)
The characterization of 2-{[(5-nitrothiophen-2-yl)methylidene]amino}phenol Schiff base was performed by FTIR and UV-vis spectroscopic techniques. Theoretical computations of the molecular structure and frequencies of ...
Synthesis, crystal structure, spectroscopic characterization and DFT studies of bis[(1Z,2E)-N-(2,6-diethylpheny1)-N'-hydroxy-2(hydroxyimino)acetimidamidato]nickel(II)
(Elsevier Science Sa, 2017)
Bis[(1Z,2E)-N-(2,6-diethylpheny1)-N'-hydroxy-2-(hydroxyimino)acetimidamidato]nickel(II) was synthesized and characterized by IR, UV Vis, and X-ray diffraction technique. The molecular geometry and vibrational wavenumbers ...
Synthesis, structural, spectroscopic and DFT study on a palladium(II)-N-heterocyclic carbene complex
(Elsevier Science Bv, 2017)
A new palladium complex with N-heterocyclic carbene (NHC) and phosphine ligands was prepared and fully characterized by H-1 NMR, C-13 NMR and P-31 NMR spectroscopies, IR spectroscopy, and X-ray crystallography. The solid-state ...
Tautomerism in 4-chlorophenyl benzoylcarbamodithioate: Experimental and DFT study
(Elsevier Science Bv, 2017)
The title dithiocarbamate compound was synthesized, and characterised by means of spectroscopic and single-crystal X-ray diffraction methods. Density functional theory method with the 6-311++G(d,p) basis set was employed ...
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 ...
Experimental and theoretical studies of (E)-2-(2-hydroxystyryl)-6-(4-methoxybenzoyl)-5-(4-methoxyphenyl)-1,2,4-triazin-3(2H)-one
(Pergamon-Elsevier Science Ltd, 2015)
Crystal structure of the title compound, C26H21N3O5, has been synthesized and characterized by Fr-IR, H-1 NMR, C-13 NMR and X-ray single crystal determination. The molecular geometry was also calculated by using Gaussian ...
