How to observe the elusive resonances in F+H-2 reactive scattering

被引:76
作者
Russell, CL
Manolopoulos, DE
机构
[1] Phys./Theor. Chemistry laboratory, Oxford OX1 3QZ, South Parks Road
关键词
D O I
10.1016/0009-2614(96)00445-9
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
Time-dependent wavepacket calculations have been used to simulate the photoelectron spectrum of the FH2- anion at the high energy resolution attainable in anion threshold photodetachment experiments, using the new ab initio potential energy surface of Stark and Werner. In addition to the direct scattering F + H-2 hindered-rotor states that have been seen in earlier spectra at lower resolution, the present high-resolution spectra show a distinct set of narrow peaks due to quantum mechanical reactive scattering resonances. These resonances have not been detected previously in any other F + H-2 reactive scattering experiment.
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页码:465 / 473
页数:9
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