Hexavanadate-Organogold(I) Hybrid Compounds: Synthesis by the Azide-Alkyne Cycloaddition and Density Functional Theory Study of an Intriguing Electron Density Distribution.
Stanislav K PetrovskiiViktoria V KhistiaevaAnastasia A SizovaVladimir V SizovAleksandra V PaderinaIgor O KoshevoyKirill Yu MonakhovElena V GrachovaPublished in: Inorganic chemistry (2020)
The fully oxidized Lindqvist-type hexavanadate compounds decorated by phosphine-derivatized Au(I) moieties oriented in a transoid fashion (n-Bu4N)2[V6O13{(OCH2)3CCH2(N3C2C6H5)AuP(C6H4OMe)3}2] (POMNAu) and (n-Bu4N)2[V6O13{(OCH2)3CCH2OCH2(C2N3H)AuP(C6H4OMe)3}2] (POMCAu) have been prepared by azide-alkyne cycloaddition reactions and characterized by various techniques, including NMR, IR, and UV/vis spectroscopy and electrospray ionization mass spectrometry. Electronic structure calculations unveil the potential of these model hybrid junctions for application in controlled charge-transport experiments on substrate surfaces.
Keyphrases
- density functional theory
- molecular dynamics
- high resolution
- mass spectrometry
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- reduced graphene oxide
- magnetic resonance
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- high performance liquid chromatography
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