THEORETICAL-STUDY OF THE PREDISSOCIATION OF THE C4-SIGMA-U STATE OF O2+

被引:40
作者
TANAKA, K
YOSHIMINE, M
机构
[1] Department of Chemistry, Faculty of Science, Hokkaido University, Sapporo
关键词
D O I
10.1063/1.437621
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
Extensive configuration-interaction calculations have been carried out to determine the potential curve for the c 4Σu - state of O2+. The results show that this state is quasibound with a low potential barrier that could accomodate only few vibrational levels. The lifetimes with respect to the tunneling through the barrier are found to be too short, but the radiative lifetime of 2 × 10-8 sec for the v = O level is shown to be reliable. Based on these results with available experimental data, a semiempirical curve has been constructed and the mean lifetimes have been determined to be 10-8 and 5 × 10-11 sec for the levels v = O and 1, respectively. This result clearly explains absence of the v = 1 level in emission, and leads to a conclusion that the tunneling should be the dominant mechanism for the predissociation of the c 4Σu- state of O2+. © 1979 American Institute of Physics.
引用
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页码:1626 / 1633
页数:8
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