Unpicking vibration-vibration and vibration-torsion interactions in m-fluorotoluene
Unpicking vibration-vibration and vibration-torsion interactions in m-fluorotoluene
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DOI：
10.1016/j.jms.2021.111522
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发表时间：
2021-09-03
影响因子：
1.4
通讯作者：
Wright, Timothy G.
中科院分区：
文献类型：
--
作者：
Davies, Alexander R.;Kemp, David J.;Wright, Timothy G.
二维激光诱导荧光（2D-LIF）光谱报道了间氟甲苯的S1 - 50电子谱中的一组特征。先前分配给基础的两个过渡在本工作中被重新分配。用零电子动能谱（zero-electron-kinetic-energy， ZEKE）证实了主要的重配。在S0， S1和D0+电子态中涉及振动和振动-扭转（“振子”）水平的相互作用通过观察到的活动来确定。得到的振动波数与量子化学计算的结果比较好。
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.