Nihar Ranjan Behera, Saroj Barik, Saurav Dutta, Rajesh Kumar Kushawaha, Sajeev Y, Aravind G
{"title":"Multiphoton Dissociative Ionization of Gas-Phase Styrene.","authors":"Nihar Ranjan Behera, Saroj Barik, Saurav Dutta, Rajesh Kumar Kushawaha, Sajeev Y, Aravind G","doi":"10.1021/acs.jpca.4c05621","DOIUrl":null,"url":null,"abstract":"<p><p>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 S<sub>1</sub> state to the S<sub>0</sub> state, which occurs via a S<sub>1</sub>/S<sub>0</sub> conical intersection at 4.66 eV above the minimum of the S<sub>0</sub> 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.</p>","PeriodicalId":59,"journal":{"name":"The Journal of Physical Chemistry A","volume":" ","pages":"9235-9239"},"PeriodicalIF":2.7000,"publicationDate":"2024-10-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"The Journal of Physical Chemistry A","FirstCategoryId":"1","ListUrlMain":"https://doi.org/10.1021/acs.jpca.4c05621","RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"2024/10/14 0:00:00","PubModel":"Epub","JCR":"Q3","JCRName":"CHEMISTRY, PHYSICAL","Score":null,"Total":0}
引用次数: 0
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.
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.