CHCl2COCl光解的基质分离与计算研究

物理化学期刊(英文) Pub Date : 2014-07-29 DOI:10.4236/OJPC.2014.43014

Nobuaki Tanaka

{"title":"CHCl2COCl光解的基质分离与计算研究","authors":"Nobuaki Tanaka","doi":"10.4236/OJPC.2014.43014","DOIUrl":null,"url":null,"abstract":"UV light photolysis of \ndichloroacetyl chloride (CHCl2COCl) has been investigated by \ninfrared spectroscopy in cryogenic Ar, Kr, Xe, and O2 matrices. The formation of CHCl3 and CO was found to be the dominant \nprocess over the ketene formation. The C-C bond cleaved products CHCl2 and COCl were also observed. As the \nnumber of the chlorine atom substitution to methyl group of acetyl chloride \nincreased, the C-C bond cleaved product yield in the triplet state increased, \nwhich can be attributed to an internal heavy-atom effect where the intersystem \ncrossing rate was enhanced.","PeriodicalId":59839,"journal":{"name":"物理化学期刊(英文)","volume":"2014 1","pages":"117-125"},"PeriodicalIF":0.0000,"publicationDate":"2014-07-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"4","resultStr":"{\"title\":\"Matrix Isolation and Computational Study on the Photolysis of CHCl2COCl\",\"authors\":\"Nobuaki Tanaka\",\"doi\":\"10.4236/OJPC.2014.43014\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"UV light photolysis of \\ndichloroacetyl chloride (CHCl2COCl) has been investigated by \\ninfrared spectroscopy in cryogenic Ar, Kr, Xe, and O2 matrices. The formation of CHCl3 and CO was found to be the dominant \\nprocess over the ketene formation. The C-C bond cleaved products CHCl2 and COCl were also observed. As the \\nnumber of the chlorine atom substitution to methyl group of acetyl chloride \\nincreased, the C-C bond cleaved product yield in the triplet state increased, \\nwhich can be attributed to an internal heavy-atom effect where the intersystem \\ncrossing rate was enhanced.\",\"PeriodicalId\":59839,\"journal\":{\"name\":\"物理化学期刊(英文)\",\"volume\":\"2014 1\",\"pages\":\"117-125\"},\"PeriodicalIF\":0.0000,\"publicationDate\":\"2014-07-29\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"4\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"物理化学期刊(英文)\",\"FirstCategoryId\":\"1089\",\"ListUrlMain\":\"https://doi.org/10.4236/OJPC.2014.43014\",\"RegionNum\":0,\"RegionCategory\":null,\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"\",\"JCRName\":\"\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"物理化学期刊(英文)","FirstCategoryId":"1089","ListUrlMain":"https://doi.org/10.4236/OJPC.2014.43014","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"","JCRName":"","Score":null,"Total":0}

引用次数: 4

摘要

用红外光谱法研究了低温氩、氪、氙和氧基质中紫外光解二氯乙酰氯(CHCl2COCl)的反应。CHCl3和CO的形成是酮烯形成的主要过程。C-C键裂解产物CHCl2和COCl也被观察到。随着氯原子取代到乙酰氯甲基的次数增加，三态C-C键裂解产物的产率增加，这可归因于内部重原子效应，系统间的交叉速率增加。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

查看原文本刊更多论文

Matrix Isolation and Computational Study on the Photolysis of CHCl2COCl

UV light photolysis of dichloroacetyl chloride (CHCl2COCl) has been investigated by infrared spectroscopy in cryogenic Ar, Kr, Xe, and O2 matrices. The formation of CHCl3 and CO was found to be the dominant process over the ketene formation. The C-C bond cleaved products CHCl2 and COCl were also observed. As the number of the chlorine atom substitution to methyl group of acetyl chloride increased, the C-C bond cleaved product yield in the triplet state increased, which can be attributed to an internal heavy-atom effect where the intersystem crossing rate was enhanced.

求助全文

通过发布文献求助，成功后即可免费获取论文全文。去求助

来源期刊

物理化学期刊(英文)

自引率

0.00%

发文量

133