Photodissociation as a quantum transition

Photofragment vibrational distributions of C2N2 (C̃ 1Π u predissociation

C. E. Dateo, V. Z. Kresin, Michel Dupuis, W. A. Lester

Research output: Contribution to journalArticle

12 Citations (Scopus)

Abstract

Polyatomic indirect photodissociation is treated as a quantum transition between quasidiscrete and dissociative (photofragment) states. Our adiabatic method is followed to describe the nuclear dynamics of the dissociative state. Ab initio MCHF excited electronic potential energy surfaces are constructed and used to determine heavy-particle dynamics. The theory is applied to single-photon predissociation of C2N2(C̃ 1Πu ) at 164, 158.7, and 153.6 nm to form CN(X 2Σ+) + CN(A 2Π). Theoretical predictions are found to be in good agreement with recent experimental product vibrational energy distributions.

Original languageEnglish
Pages (from-to)2639-2652
Number of pages14
JournalJournal of Chemical Physics
Volume86
Issue number5
Publication statusPublished - 1987

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Photodissociation
photodissociation
Potential energy surfaces
energy distribution
Photons
potential energy
photons
products
predictions
electronics

ASJC Scopus subject areas

  • Atomic and Molecular Physics, and Optics

Cite this

Photodissociation as a quantum transition : Photofragment vibrational distributions of C2N2 (C̃ 1Π u predissociation. / Dateo, C. E.; Kresin, V. Z.; Dupuis, Michel; Lester, W. A.

In: Journal of Chemical Physics, Vol. 86, No. 5, 1987, p. 2639-2652.

Research output: Contribution to journalArticle

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