Magnetic Circular Dichroism Studies of [MOCL4]- (M = Cr, Mo, W) Chromophores: Assignment of Ligand Field and Charge Transfer States

Dawn M. Sabel, Andrew A. Gewirth

Research output: Contribution to journalArticlepeer-review

Abstract

Magnetic circular dichroism spectra were obtained for [MOCl4]- (M = Cr, Mo) and [WOCl4(H2O)]- compounds. All of the spectra display temperature and field dependence consistent with a paramagnetic ground state. The two lowest energy bands are assigned to the dxy → dxz,dyz and dxy → dx2-y2 ligand field transitions. All of the compounds display vibronic structure on the dxy → dxz,dyz band arising from coupling with the totally symmetric M-O stretch. The third band is assigned to a b1(Cl) to b2(dxy) charge transfer transition and at slightly higher energies are charge transfer transitions from orbitals with e symmetry to the half-occupied dxy orbital. The low energy of the b1 to b2 charge transfer band provides a consistent explanation of the inverted EPR parameters found in these complexes and in molybdenum-containing hydroxylases.

Original languageEnglish (US)
Pages (from-to)148-156
Number of pages9
JournalInorganic Chemistry
Volume33
Issue number1
DOIs
StatePublished - Jan 1 1994

ASJC Scopus subject areas

  • Physical and Theoretical Chemistry
  • Inorganic Chemistry

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