Hexavanadate-Organogold(I) Hybrid Compounds: Synthesis by the Azide-Alkyne Cycloaddition and Density Functional Theory Study of an Intriguing Electron Density Distribution

Stanislav K Petrovskii; Viktoria V Khistiaeva; Anastasia A Sizova; Vladimir V Sizov; Aleksandra V Paderina; Igor O Koshevoy; Kirill Yu Monakhov; Elena V Grachova

doi:10.1021/acs.inorgchem.0c02621

Hexavanadate-Organogold(I) Hybrid Compounds: Synthesis by the Azide-Alkyne Cycloaddition and Density Functional Theory Study of an Intriguing Electron Density Distribution

Inorg Chem. 2020 Nov 16;59(22):16122-16126. doi: 10.1021/acs.inorgchem.0c02621. Epub 2020 Oct 26.

Authors

Stanislav K Petrovskii¹, Viktoria V Khistiaeva^{1

2}, Anastasia A Sizova¹, Vladimir V Sizov¹, Aleksandra V Paderina¹, Igor O Koshevoy², Kirill Yu Monakhov³, Elena V Grachova¹

Affiliations

¹ Institute of Chemistry, St. Petersburg State University, Universitetskii pr. 26, 198504 St. Petersburg, Russia.
² Department of Chemistry, University of Eastern Finland, 80101 Joensuu, Finland.
³ Leibniz Institute of Surface Engineering (IOM), Permoserstraße 15, 04318 Leipzig, Germany.

PMID: 33103900
DOI: 10.1021/acs.inorgchem.0c02621

Abstract

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] (POM_N^Au) and (n-Bu₄N)₂[V₆O₁₃{(OCH₂)₃CCH₂OCH₂(C₂N₃H)AuP(C₆H₄OMe)₃}₂] (POM_C^Au) 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.