An assignment of the structured features in the Hartley band absorption spectrum of ozone
An assignment of the structured features in the Hartley band absorption spectrum of ozone
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臭氧Hartley带吸收光谱结构特征的分配
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发表时间：
1994
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通讯作者：
J. Joens
中科院分区：
文献类型：
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作者：
J. Joens
本文利用低温下Hartley带吸收谱的最新实验数据，对谱中的离散结构进行了振动分析。发现238-292 cm范围内的所有峰都可以归属于基电子态中的（0，0，0）振动态和上电子态中的（v1 '，v2'）振动态之间的跃迁。在哈特利带中观察到的结构是由于对称拉伸模式中的长级数和弯曲模式中的短级数。基于振动分配，获得了关于1B 2电子状态下臭氧的振动参数和几何形状的以下信息（所有参数均为C2 v对称性）：ω1' = 1108 ± 25 cm−1，ω1'x1' = 9 ± 3 cm−1，ω2' = 298 ± 12 cm−1，ω3' =（1650 ± 300）i cm−1，r00=0.140±0.002 nm，φ=105±2°。所提出的分析表明，残余的振动结构可以发生在离解过渡，证实了以前的建议。
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 (v1’,v2’) 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 1B2 electronic state (all parameters are given for C2v symmetry): ω1’ = 1108 ± 25 cm−1, ω1’x1’ = 9 ± 3 cm−1, ω2’ = 298 ± 12 cm−1, ω3’ = (1650 ± 300)i cm−1, r00=0.140±0.002 nm, φ=105±2°. The analysis that is presented demonstrates that residual vibrational structure can occur in dissociative transitions, confirming previous suggestions.