Electronic polarization effects in the photodissociation of Cl2

E. K. Campbell,1 A. B. Alekseyev,2 G. G. Balint-Kurti,3 M. Brouard,1 Alex Brown,4 R. J. Buenker,2 R. Cireasa,1 A. J. Gilchrist,1 A. J. Johnsen,1 and D. B. Kokh2 S. Lucas,1 G. A. D. Ritchie,1 T. R. Sharples,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

Velocity mapped ion imaging and resonantly enhanced multiphoton ionization time-of-flight methods have been used to investigate the photodissociation dynamics of the diatomic molecule Cl2 following excitation to the first UV absorption band. The experimental results presented here are compared with high level time dependent wavepacket calculations performed on a set of ab initio potential energy curves [D. B. Kokh, A. B. Alekseyev, and R. J. Buenker, J. Chem. Phys. 120, 11549 (2004)]. The theoretical calculations provide the first determination of all dynamical information regarding the dissociation of a system of this complexity, including angular momentum polarization. Both low rank K = 1, 2 and high rank K = 3 electronic polarization are predicted to be important for dissociation into both asymptotic product channels and, in general, good agreement is found between the recent theory and the measurements made here, which include the first experimental determination of high rank K = 3 orientation.


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Last updated May 18, 2012.