Multiphoton Dissociative Ionization of Gas-Phase Styrene.

IF 2.7 2区 化学 Q3 CHEMISTRY, PHYSICAL The Journal of Physical Chemistry A Pub Date : 2024-10-24 Epub Date: 2024-10-14 DOI:10.1021/acs.jpca.4c05621
Nihar Ranjan Behera, Saroj Barik, Saurav Dutta, Rajesh Kumar Kushawaha, Sajeev Y, Aravind G
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Abstract

We performed multiphoton ionization of styrene molecules and observed the formation of styrene and benzene cations, the latter being reported for the first time in the multiphoton ionization of styrene. The formation of the benzene cation reveals an internal conversion from the S1 state to the S0 state, which occurs via a S1/S0 conical intersection at 4.66 eV above the minimum of the S0 state. The present results indicate the position of this conical intersection to be energetically lower than the theoretically calculated value and also the previous experimental observation. The role of dissociative ionization of styrene in the formation of benzene cations in the atmosphere is discussed.

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气相苯乙烯的多光子离解电离。
我们对苯乙烯分子进行了多光子电离,观察到苯乙烯和苯阳离子的形成,后者是首次在苯乙烯的多光子电离中被报道。苯阳离子的形成揭示了从 S1 态到 S0 态的内部转换,这种转换是通过 S1/S0 锥形交点发生的,该交点位于 S0 态最小值上方 4.66 eV 处。目前的研究结果表明,这个锥形交点的位置在能量上低于理论计算值和之前的实验观察值。讨论了苯乙烯的离解电离在大气中形成苯阳离子中的作用。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
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来源期刊
The Journal of Physical Chemistry A
The Journal of Physical Chemistry A 化学-物理:原子、分子和化学物理
CiteScore
5.20
自引率
10.30%
发文量
922
审稿时长
1.3 months
期刊介绍: The Journal of Physical Chemistry A is devoted to reporting new and original experimental and theoretical basic research of interest to physical chemists, biophysical chemists, and chemical physicists.
期刊最新文献
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