Effect of product state anharmonicity on triatomic direct photofragmentation
β Scribed by M.D. Pattengill
- Publisher
- Elsevier Science
- Year
- 1984
- Tongue
- English
- Weight
- 496 KB
- Volume
- 104
- Category
- Article
- ISSN
- 0009-2614
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β¦ Synopsis
The classical trajectory approach has been used to investigate the effect of anharmonic versus harmonic representation of CN in the 234-266 run photodiiciation of ICN. The model employed is closely related to that previously introduced by Morse, Freed and Band, with the proviso that the ICN system is constrained to be collinear and rotationless throughout the dissociation process. Utilization of a Morse function representation of CN is found to consistently reduce vibrational energy transfer to CN from that obtained with a harmonic oscillator CN representation.
π SIMILAR VOLUMES
Even when a simple valence force field is used to represent the bound state normal modes, the kinetic energy operator couples bending and stretching motions in bent triatomic molecules. These bend-stretch couplings have been ignored in previous theoretical descriptions of photodissociation and are s
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