Physics
Scientific paper
Jun 2011
adsabs.harvard.edu/cgi-bin/nph-data_query?bibcode=2011mss..confeth05b&link_type=abstract
"International Symposium On Molecular Spectroscopy, 66th Meeting, Held 20-24 June, 2011 at Ohio State University. http://molspec
Physics
Mini-Symposium: Spectroscopic Perturbations
Scientific paper
Spectroscopic signatures of isomerization between the cis and trans conformers of the S1 state of acetylene have been studied using a reduced dimension Discrete Variable Representation (DVR) calculation. The calculated rovibrational level structure yields insight into puzzling aspects of the tilde{A}←tilde{X} band spectrum, including patterns that reveal the effects of the low-barrier cis-trans conformational change. Large anharmonicities in modes that project along the minimum energy isomerization path are discussed in the context of the isomerization barrier shape. New high-sensitivity Laser Induced Fluorescence (LIF) spectra have also been recorded in the region of the expected transition state energy in order to detect weak transitions into severely predissociated states, uncovering levels that are in accord with the DVR predictions.
Baraban Joshua H.
Field Robert W.
Merer Anthony J.
Stanton John F.
Steeves Adam H.
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