In:
The Journal of Chemical Physics, AIP Publishing, Vol. 112, No. 23 ( 2000-06-15), p. 10259-10268
Abstract:
Experimental and theoretical methods have been applied to investigate the effect of internal parent excitation on the ultraviolet photodissociation dynamics of HCl (X 1Σ+) molecules. Jet-cooled H35Cl molecules within a time-of-flight mass spectrometer were prepared by infra-red absorption in the following quantum states: v=1, J=0 and J=5; v=2, J=0 and J=11; v=3, J=0 and J=7. The excited molecules were then photodissociated at λ∼235 nm and the Cl(2Pj) photofragments detected using (2+1) resonance enhanced multiphoton ionization. The results are presented as the fraction of total chlorine yield formed in the spin–orbit excited state, Cl(2P1/2). The experimental measurements are compared with the theoretical predictions from a time-dependent, quantum dynamical treatment of the photodissociation dynamics of HCl (v=1−3, J=0). These calculations involved wavepacket propagation using the ab initio potential energy curves and coupling elements previously reported by Alexander, Pouilly, and Duhoo [J. Chem. Phys. 99, 1752 (1993)]. The experimental results and theoretical predictions share a common qualitative trend, although quantitative agreement occurs only for HCl (v=2).
Type of Medium:
Online Resource
ISSN:
0021-9606
,
1089-7690
Language:
English
Publisher:
AIP Publishing
Publication Date:
2000
detail.hit.zdb_id:
3113-6
detail.hit.zdb_id:
1473050-9
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