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Multiple Metal–Metal Bond or No Bond? The Electronic Structure of V 2 O 2
Author(s) -
Hübner Olaf,
Himmel HansJörg
Publication year - 2017
Publication title -
angewandte chemie international edition
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 5.831
H-Index - 550
eISSN - 1521-3773
pISSN - 1433-7851
DOI - 10.1002/anie.201706266
Subject(s) - vanadium , electronic structure , metal , materials science , molecule , vanadium oxide , atom (system on chip) , bond order , oxide , chemical bond , metallic bonding , crystallography , bond length , computational chemistry , chemistry , metallurgy , organic chemistry , computer science , embedded system
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 V 2 O 2 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.