AN ASSIGNMENT OF THE STRUCTURED FEATURES IN THE HARTLEY BAND ABSORPTION-SPECTRUM OF OZONE

被引:24
作者
JOENS, JA
机构
[1] Department of Chemistry, Florida International University, Miami
关键词
D O I
10.1063/1.466384
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
Using recent experimental data for the Hartley band absorption spectrum obtained at low temperature, a vibrational analysis of the discrete structure in the spectrum is given. It is found that all of the peaks in the range 238-292 cm can be assigned to transitions between the (0,0,0) vibrational state in the ground electronic state and (v(1)',v(2)') vibrational states in the upper electronic state. The observed structure in the Hartley band is due to a long progression in the symmetric stretching mode, and a shorter progression in the bending mode. Based on the vibrational assignment, the following information is obtained on the vibrational parameters and geometry of ozone in the B-1(2) electronic state (all parameters are given for C-2v, Symmetry): omega(1)' = 1108 +/- 25 cm(-1), omega(1)'x(1)' = 9 +/- 3 cm(-1), omega(2)' = 298 +/- 12 cm(-1), omega(3)' = (1650 +/- 300)i cm(-1) r(00) = 0.140 +/- 0.002 nm, phi = 105 +/- 2 degrees. The analysis that is presented demonstrates that residual vibrational structure can occur in dissociative transitions, confirming previous suggestions.
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页码:3407 / 3414
页数:8
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