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首页> 外文期刊>The journal of physical chemistry, A. Molecules, spectroscopy, kinetics, environment, & general theory >A Study of 2H- and 2D-Benzotriazole in Their Lowest Electronic States by UV-Laser Double-Resonance Spectroscopy
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A Study of 2H- and 2D-Benzotriazole in Their Lowest Electronic States by UV-Laser Double-Resonance Spectroscopy

机译：紫外激光双共振光谱研究最低电子态的2H和2D苯并三唑

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摘要

Hole-burning spectra of 2H-benzotriazole and 2D-benzotriazole have been recorded in a range 1250 cm↑(-1) above the electronic origin to rule out the possibility that the other tautomer (1H-benzotriazole) absorbs in this frequency range. After establishing the existence of only one absorbing species by spectral hole-burning spectroscopy, dispersed fluorescence spectra taken through several low-frequency vibronic bands of 2H(2D)- benzotriazole have been recorded. The ground-state vibrational frequencies are compared to results of an ab initio MP2 based normal-mode analysis. Assignments of S↓(1) vibrations to specific ground-state vibrations were established using the propensity rule. The rotational band contours of the vibronic 2H- and 2D-benzotriazole transitions have been determined to be pure a- or b-type. This can be traced back to the existence of two close lying electronically excited states of 2H-benzotriazole.
机译：在电子原点上方1250 cm↑（-1）范围内记录了2H-苯并三唑和2D-苯并三唑的空穴燃烧光谱，以排除其他互变异构体（1H-苯并三唑）在该频率范围内吸收的可能性。在通过光谱孔燃烧光谱法确定仅存在一种吸收物质之后，记录了通过2H（2D）-苯并三唑的几个低频振动带所获得的分散的荧光光谱。将基态振动频率与基于从头开始的MP2正常模式分析的结果进行比较。使用倾向规则确定了S↓（1）振动对特定基态振动的分配。 2H-和2D-苯并三唑振动子的旋转带轮廓已确定为纯a型或b型。这可以追溯到2H-苯并三唑的两个紧密电激发态的存在。

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