ELECTRON-IMPACT EXCITATION CROSS SECTIONS OF LOWEST-LYING TRIPLET STATES OF BENZENE

被引:13
作者
MATSUZAWA, M
机构
[1] Department of Applied Physics, Faculty of Engineering, University of Tokyo, Tokyo
关键词
D O I
10.1063/1.1671856
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
Calculations of electron-impact excitation cross sections of the lowest-lying triplet states 3B 3B2u of benzene are carried out, using the Ochkur and Ochkur-Rudge approximations. Electronic wavefunctions are constructed from the LCAO molecular orbitals for TT electrons in benzene, and nuclear motions are dis-regarded. It is found that the differential cross section has a peak at a large scattering angle in the low-energy region. The angular distribution for the excitation of the 3Biu, 3Eiu states shows a broad subsidiary peak at a larger scattering angle. As the incident energy is lowered, the position of the peak in the angular dis-tribution shifts towards larger scattering angles, and the subsidiary peak tends to vanish. The total excitation cross section for the lowest-lying triplet states is about πa 0ao2 at low incident energy. Results of calculations are discussed and compared with experimental findings.
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页码:4705 / +
页数:1
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