E. K. Campbell,1 A. B. Alekseyev,2 G. G. Balint-Kurti,3 M. Brouard,1 Alex Brown,4 R. J. Buenker,2 A. J. Johnsen,1 D. B. Kokh2 S. Lucas,1 and B. Winter1
1The Department of Chemistry, University of Oxford, The Physical and Theoretical Chemistry Laboratory, South Parks Road, Oxford OX1 3QZ, United Kingdom
2Fachbereich C-Mathematik und Naturwissenschaften, Bergische Universität, Gaussstr. 20,
D-42119 Wuppertal, Germany
3Centre for Computational Chemistry, School of Chemistry, University of Bristol, Bristol BS8 1TS, United Kingdom
4Department of Chemistry, University of Alberta, Edmonton, Alberta T6G 2G2, Canada
Abstract
The photodissociation of vibrationally excited Cl2 (v = 1) has been investigated experimentally using the velocity mapped ion imaging technique. The experimental measurements presented here are compared with the results of time-dependent wavepacket calculations performed on a set of ab initio potential energy curves. The high level calculations allow prediction of all the dynamical information regarding the dissociation, including electronic polarization effects. Using a combination of theory and experiment it was found that there was negligible cooling of the vibrational degree of freedom of the parent molecule in the molecular beam. The results presented are compared with those following the photodissociation of Cl2 (v = 0). Although the same electronic states are found to be important for Cl2 (v = 1) as for Cl2 (v = 0), significant differences were found regarding many of the observables. The overall level of agreement between theory and experiment was found to be reasonable and confirms previous assignments of the photodissociation mechanism.
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Last updated October 4, 2012.