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Time-dependent quantum mechanical study of the photodissociation of HOCl and DOCl.
- Source :
-
Journal of Chemical Physics . 12/15/1994, Vol. 101 Issue 12, p10416. 13p. - Publication Year :
- 1994
-
Abstract
- The results of time-dependent quantum mechanical calculations on the photodissociation of initially nonrotating HOCl and DOCl molecules are presented. Two photodissociation processes, 1 1A‘←X 1A’ and 2 1A’←X 1A’, are considered. The dynamics are treated in a two dimensional model with a fixed O–H distance and the dissociation process is followed in a rotating body-fixed frame with total angular momentum of J’=1. The total photodissociation spectra and product rotational distributions resulting from dissociation of HOCl and DOCl originating in a number of different vibrational states are presented over a continuous range of incident photon wavelengths in the range 140–440 nm. It is found that, for HOCl, the physically more correct treatment with J’=1 leads to a qualitatively different OH product rotational distribution than that resulting from the more usual model treatment in which both initial and excited states are assumed to possess zero total angular momentum. © 1994 American Institute of Physics. [ABSTRACT FROM AUTHOR]
- Subjects :
- *PHOTODISSOCIATION
*MOLECULES
*DYNAMICS
Subjects
Details
- Language :
- English
- ISSN :
- 00219606
- Volume :
- 101
- Issue :
- 12
- Database :
- Academic Search Index
- Journal :
- Journal of Chemical Physics
- Publication Type :
- Academic Journal
- Accession number :
- 7629632
- Full Text :
- https://doi.org/10.1063/1.467922