Journal Article10.1016/J.POLY.2007.03.058
Oxorhenium(V) complexes with quinoline-2-carboxylate ligand. X-ray structure of [ReOCl2(quin-2-c)(PPh3)] and [ReOBr2(quin-2-c)(AsPh3)] complexes: DFT and TD-DFT calculations for [ReOCl2(quin-2-c)(PPh3)]
Barbara Machura,Rafal Kruszynski +1 more
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TL;DR: In this paper, a novel [ReOCl2(qiun-2c)(PPh3)] complex with quinoline-2-carboxylic acid in acetone at room temperature is described.
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About: This article is published in Polyhedron. The article was published on 31 Aug 2007. The article focuses on the topics: Carboxylate.
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Citations
Novel oxorhenium complexes with 2-(2'-hydroxyphenyl)-2-benzothiazolinato ligand : X-ray studies, spectroscopic characterization and DFT calculations
TL;DR: In this paper, the density functional theory (DFT) method was employed to produce a hundred of singlet excited states starting from the ground-state geometry optimized in the gas phase of cis- and trans-halide isomers of [ReOBr2(hbt)(PPh3)] and the UV-Vis spectra of these complexes were discussed on this basis.
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Synthesis, structural and DFT studies of a peroxo-niobate complex of the biological ligand 2-quinaldic acid
Adamantia Maniatakou,Christodoulos Makedonas,Christiana A. Mitsopoulou,Catherine P. Raptopoulou,Ioanna Rizopoulou,Aris Terzis,Alexandra Karaliota +6 more
TL;DR: In this paper, a heteroleptic complex (gu)2[Nb(O2)3(quin-2-c)]·H2O was prepared by substituting a peroxo group by quinoline-2carboxylate ion in the homoleptic mixture.
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Reactivity of [ReOX3(PPh3)2] and [ReOX3(AsPh3)2] towards 2-(2-hydroxyphenyl)-1H-benzimidazole: Synthesis, X-ray studies, spectroscopic characterization and DFT calculations for [ReOX2(hpb)(EPh3)] and [ReO(OMe)(hpb)2]·MeCN
TL;DR: In this paper, a combined experimental and computational study of mono-and disubstituted Re(V) oxocomplexes obtained in the reactions of [ReOX3(EPh3)2] with 2-(2-hydroxyphenyl)-1H-benzimidazole (Hhpb) was presented.
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Reactivity of oxorhenium(V) complexes towards quinoline carboxylic acids. X-ray structure of [ReOCl2(hquin-7-COOH)(PPh3)] · OPPh3, [ReOBr2(hquin-7-COOH)(PPh3)] and [ReOX2(hmquin-7-COOH)(PPh3)]. DFT and TD-DFT calculations for [ReOCl2(hquin-7-COOH)(PPh3)]
TL;DR: In this article, the reactions of [ReOX3(PPh3)2] with 8-hydroxyquinoline-7-carboxylic acid (Hhquin-7)-COOH, [ReOCl2(hquin 7-COOE), [ReReOBr2[hquin7-COE], and [ReOC2(hmquin 7 COOE] with PPh3] were examined.
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Novel oxorhenium complexes with 2-(2′-hydoxy-5′-methylphenyl)benzotriazolato ligand. X-ray studies, spectroscopic characterization and DFT calculations
TL;DR: In this article, the electronic structure of [ReOCl2(hmpbta)(AsPh3)] has been calculated with the density functional theory (DFT) method, and the TDDFT/PCM calculations have been employed to produce a hundred of singlet excited states starting from the ground-state geometry optimized in the gas phase.
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