Infrared Photodissociation Spectroscopy of Cation-Molecular Complexes

Details Infrared Photodissociation Spectroscopy of Cation-Molecular Complexes Infrared Photodissociation Spectroscopy of Cation-Molecular Complexes

Jun 2010

adsabs.harvard.edu/cgi-bin/nph-data_query?bibcode=2010mss..conferg01d&link_type=abstract

"International Symposium On Molecular Spectroscopy, 65th Meeting, Held 21-25 June, 2010 at Ohio State University. http://molspec

Computer Science

Mini-Symposium: Metal Containing Molecules

Scientific paper

Transition metal cation-molecular complexes are produced in pulsed supersonic molecular beams by laser vaporization. These ions are mass-selected in a specially designed reflectron time-of-flight mass spectrometer and studied with infrared laser photodissociation spectroscopy. Infrared spectra are compared to the predictions of theory (DFT and/or MP2) to elucidate the structures of these ions and their electronic states. Transition metal (Co, V, Nb) carbonyls are studied in the C-O stretching region and transition metal-water complexes are studied in the O-H stretching region. In both cases, the spectra reveal coordination numbers and ligand or solvent molecular vibrational shifts as a function of cluster size.

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