Assignment of the vibrations of the S0, S1, and D0 (+) states of perhydrogenated and perdeuterated isotopologues of chlorobenzene.
Assignment of the vibrations of the S0, S1, and D0 (+) states of perhydrogenated and perdeuterated isotopologues of chlorobenzene.
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DOI：
10.1063/1.4929996
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发表时间：
2015-09
期刊：
影响因子：
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通讯作者：
A. Andrejeva;William D. Tuttle;Joe P. Harris;T. G. Wright
中科院分区：
文献类型：
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作者：
A. Andrejeva;William D. Tuttle;Joe P. Harris;T. G. Wright
我们使用共振增强多光子电离光谱报告了氯苯 S1←S0 跃迁的振动分辨光谱。我们研究了氯苯-h5 及其全氘化同位素体氯苯-d5。讨论了每个物种的同位素体之间以及 S0 和 S1 电子态之间振动模式形式的变化。利用量子化学计算、先前的实验结果和同位素位移（包括 (35)Cl 和 (37)Cl 同位素异体之间的同位素位移）分配振动带。讨论了 S1 谱的先前工作和分配。此外，还考虑了基态阳离子 D0 (+) 中的振动，因为以前的工作人员也使用这些振动来分配激发中性态光谱。
We report vibrationally resolved spectra of the S1←S0 transition of chlorobenzene using resonance-enhanced multiphoton ionization spectroscopy. We study chlorobenzene-h5 as well as its perdeuterated isotopologue, chlorobenzene-d5. Changes in the form of the vibrational modes between the isotopologues and also between the S0 and S1 electronic states are discussed for each species. Vibrational bands are assigned utilizing quantum chemical calculations, previous experimental results, and isotopic shifts, including those between the (35)Cl and (37)Cl isotopologues. Previous work and assignments of the S1 spectra are discussed. Additionally, the vibrations in the ground state cation, D0 (+), are considered, since these have also been used by previous workers in assigning the excited neutral state spectra.