Spectroscopic and theoretical studies of binuclear molybdenum(II) carboxylates

Mark C. Manning, Gary F. Holland, Donald E Ellis*, William C. Trogler

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

20 Scopus citations

Abstract

Electronic absorption spectra of Mo2(O2CCF3)4 and Mo2(O2CH)4 have been measured at 10 K in inert matrices. Results are compared with previous studies of Mo2(O2CCH3)4. Raman spectra of the three carboxylate complexes have been measured and assigned. Unlike Mo2Cl8 4- or Re2Cl8 2- resonance enhancement of the metal-metal stretch did not occur when the lowest energy absorption band was irradiated; preresonance enhancement of a carboxylate stretching vibration did occur. Certain aspects of the SCF-Xα-DV calculations for Mo2(O2CH)4 agree better with previous HF calculations than with SCF-Xα-SW results. The sensitivity of the π-π* separation to metal-metal distance may explain these differences. Energies of both the singlet and triplet δ → δ*, δ → π*, σ → δ*, and δ → π* (OCO) transitions have been calculated and compared with the optical spectra.

Original languageEnglish (US)
Pages (from-to)3083-3088
Number of pages6
JournalJournal of Physical Chemistry
Volume87
Issue number16
DOIs
StatePublished - Jan 1 1983

ASJC Scopus subject areas

  • Engineering(all)
  • Physical and Theoretical Chemistry

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