Double-charge-transfer spectroscopy of O 2 2 + : Band analyses of low-lying repulsive states
Double-charge-transfer spectroscopy of O 2 2 + : Band analyses of low-lying repulsive states
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O 2 2 的双电荷转移光谱：低位排斥态的能带分析
DOI：
10.1103/physreva.70.052501
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发表时间：
2004
影响因子：
2.9
通讯作者：
S. Ohtani
中科院分区：
文献类型：
--
作者：
O. Furuhashi;T. Kinugawa;T. Hirayama;T. Koizumi;C. Yamada;S. Ohtani
The double-charge-transfer (DCT) spectrum of O{sub 2}{sup 2+} has been recorded at 140 meV resolution using 1.5 keV H{sup +} projectiles. Electronic bands of the low-lying triplet states, namely A {sup 3}{sigma}{sub u}{sup +}, W {sup 3}{delta}{sub u}, B {sup 3}{pi}{sub g}, and B{sup '} {sup 3}{sigma}{sub u}{sup -}, have been resolved. Assuming that the observed bands directly reflect the Franck-Condon (FC) profiles, potential-energy curves of the A {sup 3}{sigma}{sub u}{sup +}, W {sup 3}{delta}{sub u}, and B{sup '} {sup 3}{sigma}{sub u}{sup -} states within the FC region are determined based on the reflection approximation. For a quantitative check of the results, complete active space self-consistent-field and multireference configuration-interaction calculations have been performed to predict the potential-energy curves and the FC profiles. The calculated energy curves agree well with the experimentally derived ones. The theoretical FC profiles reproduced well the band shapes observed by both present DCT and previous Doppler-free kinetic-energy release methods. However, our results cast doubt on the previous assignment of luminescence to the O{sub 2}{sup 2+} B {sup 3}{pi}{sub g}{yields}A {sup 3}{sigma}{sub u}{sup +} transition and the observed bound level of the A {sup 3}{sigma}{sub u}{sup +} state by the previous threshold photoelectron coincidence experiment.
The double-charge-transfer (DCT) spectrum of O{sub 2}{sup 2+} has been recorded at 140 meV resolution using 1.5 keV H{sup +} projectiles. Electronic bands of the low-lying triplet states, namely A {sup 3}{sigma}{sub u}{sup +}, W {sup 3}{delta}{sub u}, B {sup 3}{pi}{sub g}, and B{sup '} {sup 3}{sigma}{sub u}{sup -}, have been resolved. Assuming that the observed bands directly reflect the Franck-Condon (FC) profiles, potential-energy curves of the A {sup 3}{sigma}{sub u}{sup +}, W {sup 3}{delta}{sub u}, and B{sup '} {sup 3}{sigma}{sub u}{sup -} states within the FC region are determined based on the reflection approximation. For a quantitative check of the results, complete active space self-consistent-field and multireference configuration-interaction calculations have been performed to predict the potential-energy curves and the FC profiles. The calculated energy curves agree well with the experimentally derived ones. The theoretical FC profiles reproduced well the band shapes observed by both present DCT and previous Doppler-free kinetic-energy release methods. However, our results cast doubt on the previous assignment of luminescence to the O{sub 2}{sup 2+} B {sup 3}{pi}{sub g}{yields}A {sup 3}{sigma}{sub u}{sup +} transition and the observed bound level of the A {sup 3}{sigma}{sub u}{sup +} state by the previous threshold photoelectron coincidence experiment.