Multiple metal-metal bond or no bond?

• Verfasst von: Hübner, Olaf [VerfasserIn]
• Verfasst von: Himmel, Hans-Jörg [VerfasserIn]
• Titel: Multiple metal-metal bond or no bond?
• Titelzusatz: the electronic structure of V2O2
• Verf.angabe: Olaf Hübner and Hans-Jörg Himmel
• E-Jahr: 2017
• Jahr: September 25, 2017
• Umfang: 4 S.
• Teil: volume:56
• Teil: year:2017
• Teil: number:40
• Teil: pages:12340-12343
• Teil: extent:4
• Fussnoten: Accepted manuscript online: 31 July 2017 ; Gesehen am 04.10.2018
• Titel Quelle: Enthalten in: Angewandte Chemie / International edition
• Ort Quelle: Weinheim : Wiley-VCH, 1962
• Jahr Quelle: 2017
• Band/Heft Quelle: 56(2017), 40, Seite 12340-12343
• ISSN Quelle: 1521-3773
• DOI: doi:10.1002/anie.201706266
• Datenträger: Online-Ressource
• Sprache: eng
• Sach-SW: electronic structure
• Sach-SW: matrix isolation
• Sach-SW: metal-metal bonding
• Sach-SW: multireference calculations
• Sach-SW: vanadium oxide
• K10plus-PPN: 1581545878

Abstract

Detailed knowledge of the electronic structure of vanadium oxide clusters provides the basis for understanding and tuning their significant catalytic properties. However, already for the simple four-atom V2O2 molecule, there are contradictory reports in the literature regarding the electronic ground state and a possible vanadium-vanadium bond. We herein show through a combination of experimental (matrix isolation) studies and theoretical results that there is a multiple vanadium-vanadium bond in this benchmark vanadium oxide molecule.