Inorganic Chemistry, Vol.59, No.22, 16122-16126, 2020
Hexavanadate-Organogold(I) Hybrid Compounds: Synthesis by the Azide-Alkyne Cycloaddition and Density Functional Theory Study of an Intriguing Electron Density Distribution
The fully oxidized Lindqvist-type hexavanadate compounds decorated by phosphine-derivatized Au(I) moieties oriented in a transoid fashion (n- Bu4N)(2)[V6O13{(OCH2)(3)CCH2(N3C2C6H5)AuP(C6H4OMe)(3)}(2)] (POMNAu) and (n-Bu4N)(2)[V6O13{(OCH2)(3)CCH2OCH2(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.