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Title: Nonadiabatic photodissociation dynamics in (HI){sub 2} induced by intracluster collisions

Abstract

The sequential photodissociation dynamics of (HI){sub 2} is studied by means of a nonadiabatic wave packet treatment starting from the I{sup *}-HI complex. The model reproduces the main experimental findings for photolysis with 266 nm radiation. The results confirm that some of the H atoms dissociated from the I{sup *}-HI complex deactivate the I{sup *} atom through a H/I{sup *} intracluster collision which induces an I{sup *}{yields}I electronically nonadiabatic transition. As a consequence, these H fragments become very fast by acquiring nearly all the I{sup *} excitation energy, equivalent to the I{sup *}/I spin-orbit splitting. A most interesting result is the high production of bound I{sub 2} fragments in highly excited rovibrational states in the photolysis, indicating that the H dissociation is mainly direct.

Authors:
; ;  [1]
  1. Instituto de Matematicas y Fisica Fundamental, C.S.I.C., Serrano 123, 28006 Madrid (Spain)
Publication Date:
OSTI Identifier:
20991251
Resource Type:
Journal Article
Resource Relation:
Journal Name: Journal of Chemical Physics; Journal Volume: 126; Journal Issue: 16; Other Information: DOI: 10.1063/1.2731371; (c) 2007 American Institute of Physics; Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY; DISSOCIATION; IODINE; IODINE IONS; L-S COUPLING; MOLECULAR CLUSTERS; PHOTOLYSIS; PHOTON-MOLECULE COLLISIONS; REACTION KINETICS; SPIN; VIBRATIONAL STATES; WAVE PACKETS

Citation Formats

Lopez-Lopez, S., Prosmiti, R., and Garcia-Vela, A. Nonadiabatic photodissociation dynamics in (HI){sub 2} induced by intracluster collisions. United States: N. p., 2007. Web. doi:10.1063/1.2731371.
Lopez-Lopez, S., Prosmiti, R., & Garcia-Vela, A. Nonadiabatic photodissociation dynamics in (HI){sub 2} induced by intracluster collisions. United States. doi:10.1063/1.2731371.
Lopez-Lopez, S., Prosmiti, R., and Garcia-Vela, A. Sat . "Nonadiabatic photodissociation dynamics in (HI){sub 2} induced by intracluster collisions". United States. doi:10.1063/1.2731371.
@article{osti_20991251,
title = {Nonadiabatic photodissociation dynamics in (HI){sub 2} induced by intracluster collisions},
author = {Lopez-Lopez, S. and Prosmiti, R. and Garcia-Vela, A.},
abstractNote = {The sequential photodissociation dynamics of (HI){sub 2} is studied by means of a nonadiabatic wave packet treatment starting from the I{sup *}-HI complex. The model reproduces the main experimental findings for photolysis with 266 nm radiation. The results confirm that some of the H atoms dissociated from the I{sup *}-HI complex deactivate the I{sup *} atom through a H/I{sup *} intracluster collision which induces an I{sup *}{yields}I electronically nonadiabatic transition. As a consequence, these H fragments become very fast by acquiring nearly all the I{sup *} excitation energy, equivalent to the I{sup *}/I spin-orbit splitting. A most interesting result is the high production of bound I{sub 2} fragments in highly excited rovibrational states in the photolysis, indicating that the H dissociation is mainly direct.},
doi = {10.1063/1.2731371},
journal = {Journal of Chemical Physics},
number = 16,
volume = 126,
place = {United States},
year = {Sat Apr 28 00:00:00 EDT 2007},
month = {Sat Apr 28 00:00:00 EDT 2007}
}