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Article
Synthesis, spectroscopic characterization, X-ray structure and DFT calculations of [ReOCl2(8-Sqn)(OPPh3)]
The reaction of [ReOCl3(PPh3)2] with 8-quinolinethiol (8-HSqn) has been examined, and the [ReOCl2(8-Sqn)(OPPh3)] complex has been obtained. It was characterized by IR, UV–Vis spectroscopy and single crystal X-ray...
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Article
Synthesis, X-ray studies, spectroscopic investigation, and DFT calculations of [ReBr3(dppt)(OPPh3)]
The reaction of [ReOBr3(PPh3)2] with 5,6-diphenyl-3-(2-pyridyl)-1,2,4-trazine (dppt) has been examined and [ReBr3(dppt)(OPPh3)] has been obtained. It was characterised by IR, UV–Vis spectroscopy, magnetic measure...
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Article
Rhenium(V) oxocomplexes incorporating 2-(2H-benzotriazol-2-yl)-4,6-di-tert-pentylphenolate ligand: X-ray studies, spectroscopic characterization and DFT calculations
Novel rhenium(V) oxocomplexes have been obtained in the reactions of [ReOX3(EPh3)2] (X = Cl, Br; E = P, As) with 2-(2H-benzotriazol-2-yl)-4,6-di-tert-pentylphenol (HL). All the compounds were identified by elemen...
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Article
Cu(II), Ni(II), and Hg(II) thiocyanate complexes incorporating 4,5-diazafluoren-9-one: synthesis, spectroscopic characterization, X-ray studies, and magnetic properties
This article presents a combined experimental and computational study of the complexes [Cu(dafone)2(SCN)2] (1), [Ni(dafone)2(SCN)2] (2) and [Hg(dafone)(SCN)2] (3), where dafone stands for 4,5-diazafluoren-9-one. ...
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Article
A density functional study of oxorhenium(V) complexes incorporating quinoline or isoquinoline carboxylic acids: structural, spectroscopic, and electronic properties
Density functional theory calculations have been performed for understanding factors responsible for the different stabilities of particular isomers of [ReOX(N–O)2], where N–O represents carboxylate ligand chelat...