INTERFERENCE EFFECTS IN THE PHOTODISSOCIATION OF FNO

被引:27
作者
COTTING, R [1 ]
HUBER, JR [1 ]
ENGEL, V [1 ]
机构
[1] UNIV FREIBURG,FAK PHYS,D-79104 FREIBURG,GERMANY
关键词
D O I
10.1063/1.466687
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
Two-dimensional wave packet calculations on the photodissociation of FNO --> F + NO in the S-1 state were carried out to analyze the asymmetric resonance line shapes (Fano profiles) in the absorption spectrum in terms of a continuum, a resonance, and an interference contribution. Vibrationally resolved partial cross sections were calculated which predict a strong variation of the vibrational state distribution in the NO fragment as a function of the energy in the vicinity of a resonance. This effect is due to a substantial interference contribution to the vibronic absorption cross section. The results were compared to recent experimental findings by Reisler and co-workers and to the Fano model applied to predissociation. Further, we simulated the excitation with a semi-infinite laser pulse to extract resonance energies from the time behavior of the calculated S-1 <-- S-0 transition rates.
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页码:1040 / 1048
页数:9
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