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DFT Studies and Crystal Structure of Synthesized 1,3-bis(2- thiophenylmethyl)-4,5-dihydroimidazolidinium hexafluorophosphate Salt
(2017)
The synthesized compound 5, (C13H15N2S2)[PF6], was fully characterized with Xray diffraction method. In this compound, the asymmetric unit contains a 1,3-(2thiophenylmethyl)-4,5-dihydroimidazolidinium cation and a ...
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 ...
Tridentate SNS pincer type ligand: Synthesis, structural and spectroscopic analysis of a novel pyridine and m-xylene compound with thioether-bridge
(Elsevier Science Bv, 2017)
Taking into account the broad spectrum of catalytic and bioactivity, it has been importance the compounds containing pyridine in the molecular structure. Here we report the synthesis, structural and spectroscopic analysis ...
Synthesis of a new heterocyclic Schiff base ligand "(E)-5-benzoyl-4-phenyl-1-((pyridin-2-ylmethylene) amino) pyrimidin-2(1H)-one": An experimental and computational modeling study
(Elsevier Science Bv, 2017)
In this study, a new heterocyclic Schiff base has been synthesized and characterized using FT-IR, NMR (H-1 NMR, C-13 NMR), UV-Vis, Mass spectroscopies and single-crystal X-ray diffraction method. The molecular geometry ...
