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Journal of Structural Chemistry

, Volume 48, Issue 1, pp 28–36 | Cite as

Features of the electronic structure of ruthenium tetracarboxylates with axially coordinated nitric oxide (II)

  • O. V. Sizova
  • L. V. Skripnikov
  • A. Yu. Sokolov
  • O. O. Lyubimova
Open Access
Article

Abstract

The electronic structure of Ru2(μ-O2CR)4, Ru2(μ-O2CR)4(L)2 and Ru2(μ-O2CR)4(NO)2 (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 Ru2(μ-O2CR)4 is accompanied by destruction of the metal-metal π-bond with d πAO Ru reorientation on bonding with NO molecules.

Keywords

density functional theory tetracarboxylates ruthenium nitric oxide (II) 

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Copyright information

© Springer Science+Business Media, Inc. 2007

Authors and Affiliations

  • O. V. Sizova
    • 1
  • L. V. Skripnikov
    • 1
  • A. Yu. Sokolov
    • 1
  • O. O. Lyubimova
    • 1
  1. 1.St.Petersburg State UniversitySt.Petersburg

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