WG03 15min2:04
EXPERIMENTAL AND THEORETICAL STUDIES OF Mn2(CO)10.

HOLLY B. LAVENDER, TERRY GUSTAFSON, BRUCE BURSTEN AND MARCELLO VITALE, Department of Chemistry, The Ohio State University, Columbus, Ohio 43210.

Ground state resonance Raman spectroscopy, Fenske-Hall molecular orbital calculations, and density functional theory were utilized to study the photochemistry of Mn2(CO)10 in an attemt to understand better the photochemical reaction pathways of dinuclear transition metal organometallic complexes. In this work, resonance enhancement of the e3 Mn-C-O bending mode, the e3 C-O stretching vibration and the a1 Mn-Mn bond stretch are found to play an important role in the resonance Raman spectra of Mn2(CO)10. These data, together with the theoretical calculations, are consistent with the proposal that the photochemical intermediate Mn2(CO)9 contains a linear semi-bridging CO.