Spin-orbit induced predissociation dynamics of HCl+ and HBr+ ions:: temporal and spectral representations

被引:18
作者
Korolkov, MV
Weitzel, KM
Peyerimhoff, SD
机构
[1] Free Univ Berlin, Inst Chem Phys & Theoret Chem, D-14195 Berlin, Germany
[2] Univ Bonn, Inst Phys & Theoret Chem, D-53115 Bonn, Germany
关键词
predissociation dynamics; predissociation spectra; wavepacket analysis;
D O I
10.1016/S1387-3806(00)00222-0
中图分类号
O64 [物理化学(理论化学)、化学物理学]; O56 [分子物理学、原子物理学];
学科分类号
070203 ; 070304 ; 081704 ; 1406 ;
摘要
The spin-orbit induced predissociation dynamics of HCl+ and HBr+ ions have been investigated by numerical solution of four coupled time-dependent Schrodinger equations based on ab initio potential energy data. For HCl+ exponential decay dominates for all vibrational levels in the electronic excited (2)Sigma(+) state. For HBr+ pronounced nonexponential decay occurs due to significant multichannel competition. The comparison of temporal and spectral representations of the dynamics reveals that the derivation of dynamic information from experimental frequency domain spectra may be difficult in the case of multichannel competition. (C) 2000 Elsevier Science B.V.
引用
收藏
页码:109 / 120
页数:12
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