Vibrational and electronic structure of the dinuclear bis(µ-nitrido) vanadium(V) complex [V(N{N }2)(µ-N)]2: spectroscopic properties of the M2(µ-N)2 diamond core

Studt, Felix, Lamarche, Vanessa M E, Clentsmith, Guy K B, Cloke, F Geoffrey N and Tuczek, Felix (2005) Vibrational and electronic structure of the dinuclear bis(µ-nitrido) vanadium(V) complex [V(N{N }2)(µ-N)]2: spectroscopic properties of the M2(µ-N)2 diamond core. Dalton Transactions, 6. pp. 1052-1057. ISSN 14779226

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Abstract

The vibrational and electronic structure of the bis-µ-nitrido bridged complex [V(N{N¿}2)(µ-N)]2 (1) (where [N{N¿}2]2- = [(Me3Si)N{CH 2CH2N(SiMe3)}2]2-) is analyzed. Assignment of the five modes of the V2(µ-N)2 core is based on 15N isotope shifts and a DFT calculation on the calculated structure I which is an exact reproduction of 1. The three Raman active modes of the planar V2(µ-N)2 core are found in the Raman spectrum whereas the two IR allowed vibrations are identified in the infrared spectrum. Furthermore, the electronic structure of 1 is described which complements earlier theoretical studies on the reaction pathway leading to 1 (V. M. E. Bates, G. K. B. Clentsmith, F. G. N. Cloke, J. C. Green, H. D. L. Jenkin, Chem. Commun., 2000, 927). Based on the MO scheme of I the UV-vis transitions of 1 are assigned.

Item Type: Article
Schools and Departments: School of Life Sciences > Chemistry
Depositing User: Geoff Cloke
Date Deposited: 06 Feb 2012 21:00
Last Modified: 28 Mar 2012 15:58
URI: http://sro.sussex.ac.uk/id/eprint/29097
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