THE INTERPRETATION OF THE WULF ABSORPTION-BAND OF OZONE

被引:55
作者
MINAEV, B [1 ]
AGREN, H [1 ]
机构
[1] LINKOPING UNIV,INST PHYS & MEASUREMENT TECHNOL,S-58183 LINKOPING,SWEDEN
关键词
D O I
10.1016/0009-2614(93)E1445-M
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
Intensities and energies of the three lowest singlet-triplet transitions of the ozone molecule have been obtained by means of analytic response theory calculations based on multi-configuration wavefunctions. Contrary to the accepted interpretation of a (1)A(2)<--X(1)A(1) transition we find that the lowest electronic band in the ozone spectrum, the Wulf band, is due to a singlet-triplet (3)A(2)<--X(1)A(1) transition (oscillator strength 6 X 10(-7)). The calculations also explain the absence of observable absorption to the lowest a B-3(2) State because of negligible oscillator strength (8 X 10(-10)).
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页码:531 / 538
页数:8
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