{"title":"azulene的面内振动","authors":"D. Steele","doi":"10.1016/0371-1951(66)80032-2","DOIUrl":null,"url":null,"abstract":"<div><p>The in-plane vibrations of azulene have been computed using different force fields based on the benzene fields of S<span>rawford</span> <em>et al.</em> and of D<span>uinker</span> and M<span>ills</span>. The agreement between the two sets of results and obvious assignments is very satisfactory. An almost complete assignment of azulene is presented based on the calculations and previous experimental data. The results of calculation of the frequencies of per-deutero azulene are given but not discussed.</p></div>","PeriodicalId":101180,"journal":{"name":"Spectrochimica Acta","volume":"22 7","pages":"Pages 1275-1282"},"PeriodicalIF":0.0000,"publicationDate":"1966-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1016/0371-1951(66)80032-2","citationCount":"16","resultStr":"{\"title\":\"The in-plane vibrations of azulene\",\"authors\":\"D. Steele\",\"doi\":\"10.1016/0371-1951(66)80032-2\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><p>The in-plane vibrations of azulene have been computed using different force fields based on the benzene fields of S<span>rawford</span> <em>et al.</em> and of D<span>uinker</span> and M<span>ills</span>. The agreement between the two sets of results and obvious assignments is very satisfactory. An almost complete assignment of azulene is presented based on the calculations and previous experimental data. The results of calculation of the frequencies of per-deutero azulene are given but not discussed.</p></div>\",\"PeriodicalId\":101180,\"journal\":{\"name\":\"Spectrochimica Acta\",\"volume\":\"22 7\",\"pages\":\"Pages 1275-1282\"},\"PeriodicalIF\":0.0000,\"publicationDate\":\"1966-07-01\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"https://sci-hub-pdf.com/10.1016/0371-1951(66)80032-2\",\"citationCount\":\"16\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Spectrochimica Acta\",\"FirstCategoryId\":\"1085\",\"ListUrlMain\":\"https://www.sciencedirect.com/science/article/pii/0371195166800322\",\"RegionNum\":0,\"RegionCategory\":null,\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"\",\"JCRName\":\"\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Spectrochimica Acta","FirstCategoryId":"1085","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/0371195166800322","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"","JCRName":"","Score":null,"Total":0}
引用次数: 16
摘要
基于Srawford et al.和Duinker and Mills的苯场，用不同的力场计算了azulene的面内振动。两组结果和明显赋值之间的一致性是令人满意的。根据计算结果和以往的实验数据，给出了一个几乎完整的唑烯分配。给出了对二叔氮的频率计算结果，但没有讨论。
The in-plane vibrations of azulene have been computed using different force fields based on the benzene fields of Srawfordet al. and of Duinker and Mills. The agreement between the two sets of results and obvious assignments is very satisfactory. An almost complete assignment of azulene is presented based on the calculations and previous experimental data. The results of calculation of the frequencies of per-deutero azulene are given but not discussed.
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