DOI

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
StatePublished - Jan 2007

    Scopus subject areas

  • Physical and Theoretical Chemistry
  • Inorganic Chemistry
  • Materials Chemistry

    Research areas

  • Density functional theory, Nitric oxide (II), Ruthenium, Tetracarboxylates

ID: 11893322