Photodissociation of triatomic molecules: Rotational scattering effects
An exact quantum method for calculating the state-to-state direct photodissociation probabilities for arbitrary (linear or bent) triatomic molecules is presented. It is shown that this method, which requires the accumulation of Franck--Condon overlap integrals between the initial state and a scattering state satisfying arbitrary scattering boundary conditions, is equivalent to the solution of the driven equations of Band, Freed, and Kouri. For both HCN and ICN the effects of variation of the final state potential on the vibrational and rotational distributions of the CN fragments are examined. Agreement of our exact calculations with the approximate calculations of Morse and Freed is very good.
- Research Organization:
- The James Franck Institute and The Department of Chemistry, The University of Chicago, Chicago, Illiniois 60637
- OSTI ID:
- 6301611
- Journal Information:
- J. Chem. Phys.; (United States), Journal Name: J. Chem. Phys.; (United States) Vol. 78:9; ISSN JCPSA
- Country of Publication:
- United States
- Language:
- English
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Related Subjects
Molecular & Chemical Physics-- Atomic & Molecular Properties & Theory
74 ATOMIC AND MOLECULAR PHYSICS
BOUNDARY CONDITIONS
CHEMICAL REACTIONS
CYANIDES
DECOMPOSITION
DISSOCIATION
DISTRIBUTION
ENERGY LEVELS
EXCITED STATES
HALOGEN COMPOUNDS
HYDROCYANIC ACID
HYDROGEN COMPOUNDS
INORGANIC ACIDS
IODINE COMPOUNDS
PHOTOCHEMICAL REACTIONS
PHOTOLYSIS
ROTATIONAL STATES
SCATTERING