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• W2024040019 startingPage "51" @default.
• W2024040019 abstract "The results of orbital interaction calculations of a comparative nature, using the extended Hückel approach, are presented for several low-valence vanadium complexes with side-on bonded dioxygen; these are believed to be produced upon reaction of low valence vanadium species with molecular oxygen. In the mononuclear complex [Cl5VIV(gh2-O22−)]3− and the trans-bent μ-peroxo dinuclear complex, [Cl5VIII(O22−)VIIICl5]6−, cleavage of the OO bond is not indicated. However, in the dihapto μ-peroxo dinuclear complexes [Cl5VIII-(gh2-O22−)VIIICl5]6− and [(H2O)3Cl2VIII(η2-O22−)VIIICl2(H2O)3], with the latter being used as an approximation for [(THF)3Cl2VIII(η2-O22−)VIIICl2(THF)3], effective metal d → ligand σ* backdonation results in OO bond cleavage. The results of the calculations indicate that an intermediate for whihc the last-named complex could serve as a model could possibly be responsible for OO bond cleavage in coordinated dioxygen and subsequent generation of vanadyl species in solution. Potential implications for processes of O2-activation and O-atom insertion by transition metal centers are discussed." @default.
• W2024040019 created "2016-06-24" @default.
• W2024040019 creator A5001331359 @default.
• W2024040019 creator A5037847272 @default.
• W2024040019 creator A5065061819 @default.
• W2024040019 date "1987-05-01" @default.
• W2024040019 modified "2023-09-26" @default.
• W2024040019 title "Sigma bond cleavage in coordinated dioxygen: the case of the μ-peroxo complex, [(THF)3Cl2VIII(O22−)VIIICl2(THF)3] and vanadyl formation in solution" @default.
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• W2024040019 doi "https://doi.org/10.1016/s0020-1693(00)85902-2" @default.
• W2024040019 hasPublicationYear "1987" @default.
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