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Unpicking vibration-vibration and vibration-torsion interactions in m-fluorotoluene
Journal of Molecular Spectroscopy ( IF 1.4 ) Pub Date : 2021-08-25 , DOI: 10.1016/j.jms.2021.111522
Alexander R. Davies 1 , David J. Kemp 1 , Timothy G. Wright 1
Affiliation  

Two-dimensional laser-induced fluorescence (2D-LIF) spectra are reported for a set of features in the S1 ↔ S0 electronic spectrum of m-fluorotoluene. Two transitions previously assigned to fundamentals are reassigned in the present work. The main reassignments are confirmed with zero-electron-kinetic-energy (ZEKE) spectroscopy. Interactions in the S0, S1 and D0+ electronic states involving vibrational and vibration-torsional (“vibtor”) levels are identified via observed activity. The obtained vibrational wavenumbers compare well to the results of quantum chemical calculations.



中文翻译:

解开间氟甲苯中的振动-振动和振动-扭转相互作用

二维激光诱导荧光(2D-LIF)光谱报道在S的一组特征1  ↔小号0的电子光谱-fluorotoluene。先前分配给基础的两个过渡在当前工作中重新分配。零电子动能 (ZEKE) 光谱证实了主要的重新分配。S 0、S 1和D 0 +电子状态中涉及振动和振动扭转(“振动器”)水平的相互作用通过观察到的活动来识别。获得的振动波数与量子化学计算的结果相当。

更新日期:2021-09-03
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