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Femtochemistry of the Reaction of IHgI: Theory Versus Experiment

Gruebele, M. and Roberts, G. and Zewail, A. H. (1990) Femtochemistry of the Reaction of IHgI: Theory Versus Experiment. Philosophical Transactions: Physical Sciences and Engineering, 332 (1625). pp. 223-243. ISSN 0962-8428. doi:10.1098/rsta.1990.0111.

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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.

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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.
Funding AgencyGrant Number
Air Force Office of Scientific Research (AFOSR)AFOSR 90-0014
Science and Engineering Research Council (SERC)UNSPECIFIED
North Atlantic Treaty Organization (NATO)UNSPECIFIED
Issue or Number:1625
Record Number:CaltechAUTHORS:20141217-150721368
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Official Citation:Femtochemistry of the Reaction of IHgI: Theory Versus Experiment M. Gruebele, G. Roberts and A. H. Zewail Philosophical Transactions: Physical Sciences and Engineering Vol. 332, No. 1625, Intramolecular Motion and Chemical Reaction (Aug. 15, 1990) , pp. 223-243 Published by: The Royal Society Stable URL:
Usage Policy:No commercial reproduction, distribution, display or performance rights in this work are provided.
ID Code:52982
Deposited By: Tony Diaz
Deposited On:17 Dec 2014 23:34
Last Modified:10 Nov 2021 19:46

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