Features of the electronic structure of ruthenium tetracarboxylates with axially coordinated nitric oxide IIReportar como inadecuado




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Journal of Structural Chemistry

, Volume 48, Issue 1, pp 28–36

Received: 13 March 2006

Abstract

The electronic structure of Ru2μ-O2CR4, Ru2μ-O2CR4L2 and Ru2μ-O2CR4NO2 R = H, CH3, CF3; L = H2O, THF ruthenium tetracarboxylates is analyzed on the basis of calculations by the density functional method with full geometry optimization. It is concluded that the axial coordination of nitric oxide II to Ru2μ-O2CR4 is accompanied by destruction of the metal-metal π-bond with dπAO Ru reorientation on bonding with NO molecules.

Keywordsdensity functional theory tetracarboxylates ruthenium nitric oxide II Original Russian Text Copyright © 2007 by O. V. Sizova, L. V. Skripnikov, A. Yu. Sokolov, and O. O. Lyubimova

Translated from Zhurnal Strukturnoi Khimii, Vol. 48, No. 1, pp. 33–40, January–February, 2007.

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Autor: O. V. Sizova - L. V. Skripnikov - A. Yu. Sokolov - O. O. Lyubimova

Fuente: https://link.springer.com/



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