Tomohiro Watanabe, T. Tachikawa, Nobutaka Kitahara, S. Tokita
{"title":"Electronic State of Anthra[1, 9-bc:4, 10-b'c']dichromene and Structural Analysis of Its Endoperoxide","authors":"Tomohiro Watanabe, T. Tachikawa, Nobutaka Kitahara, S. Tokita","doi":"10.2477/JCHEMSOFT.3.59","DOIUrl":null,"url":null,"abstract":"芳香族化合物への一重項酸素の付加反応は, ホトクロミックへの応用から極めて興味深い. しかし, 化合物によっては酸素の付加位置を特定することは難しい.アントラ[1,9-b,c:4,10-b';c]ジクロメン (1) の酸素付加体の単結晶を作成し, X線結晶構造解析によって酸素の付加位置を特定した.その結果は, AM1とPM3法によるHOMOの係数からの予測とも一致した.","PeriodicalId":205210,"journal":{"name":"Journal of Chemical Software","volume":"28 1","pages":"0"},"PeriodicalIF":0.0000,"publicationDate":"1996-10-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"1","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Journal of Chemical Software","FirstCategoryId":"1085","ListUrlMain":"https://doi.org/10.2477/JCHEMSOFT.3.59","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"","JCRName":"","Score":null,"Total":0}
京公网安备 11010802042870号
京ICP备2023020795号-1
分享
求助内容：
应助结果提醒方式：
扫码关注我们
