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Published August 15, 1990 | public
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Femtochemistry of the Reaction of IHgI: Theory Versus Experiment

Gruebele, M.
Roberts, G.
Zewail, A. H.
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Abstract

Recently, the rapid dissociation dynamics of mercury diiodide has been studied by femtosecond transition-state spectroscopy (FTS). Such experiments provide a real-time picture of wave packet motions in two dissociation channels associated with the iodine atomic product in its ground and spin-orbit excited states. We present here a two-dimensional quantum mechanical treatment of the FTS experiment, which allows us to discuss the salient features of the wave packet motion and product state distribution. Possible refinements of the approach and their significance are also discussed.

Additional Information

© 1990 The Royal Society. This work was supported by the U.S. Air Force Office of Scientific Research under grant number AFOSR 90-0014. We are grateful to Professor R. A. Marcus for his helpful comments. One of us (G. R.) thanks SERC for the award of a NATO Postdoctoral Fellowship. Some of the calculations reported in this paper were carried out on the Cray X-MP/18 supercomputing at the Jet Propulsion Laboratory.

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