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

Olga V. Sizova, L. V. Skripnikov, A. Yu Sokolov, O. O. Lyubimova

Research output

9 Citations (Scopus)

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-O 2CR)4 is accompanied by destruction of the metal-metal π-bond with d πAO Ru reorientation on bonding with NO molecules.

Original languageEnglish
Pages (from-to)28-36
Number of pages9
JournalJournal of Structural Chemistry
Volume48
Issue number1
DOIs
Publication statusPublished - Jan 2007

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Scopus subject areas

  • Physical and Theoretical Chemistry
  • Inorganic Chemistry
  • Materials Chemistry

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