{"title":"氢氟醚CF3OCH3、CF3OCF2H和CF3OCF2CF2H及相应烷烃CF3CH3、CF3CF2H和CF3CF2CF2H的红外光谱和振动模式2010-03-11 2010-05-19 2010-08-06","authors":"J. Stevens, Lindsey D. Macomber, L. W. Davis","doi":"10.2174/1874067701004010017","DOIUrl":null,"url":null,"abstract":"The structures and IR spectra of CF3OCH3, CF3OCF2H, and CF3OCF2CF2H and corresponding alkanes CF3CH3, CF3CF2H, and CF3CF2CF2H have been calculated using the B3LYP method with a 6-311G(2d,2p) basis set. The calculated IR spectra are consistent with, and provide additional confidence in, the available experimental data.","PeriodicalId":250297,"journal":{"name":"The Open Physical Chemistry Journal","volume":"27 1","pages":"0"},"PeriodicalIF":0.0000,"publicationDate":"2010-08-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"10","resultStr":"{\"title\":\"IR Spectra and Vibrational Modes of the Hydrofluoroethers CF3OCH3, CF3OCF2H, and CF3OCF2CF2H and Corresponding Alkanes CF3CH3, CF3CF2H, and CF3CF2CF2H~!2010-03-11~!2010-05-19~!2010-08-06~!\",\"authors\":\"J. Stevens, Lindsey D. Macomber, L. W. Davis\",\"doi\":\"10.2174/1874067701004010017\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"The structures and IR spectra of CF3OCH3, CF3OCF2H, and CF3OCF2CF2H and corresponding alkanes CF3CH3, CF3CF2H, and CF3CF2CF2H have been calculated using the B3LYP method with a 6-311G(2d,2p) basis set. The calculated IR spectra are consistent with, and provide additional confidence in, the available experimental data.\",\"PeriodicalId\":250297,\"journal\":{\"name\":\"The Open Physical Chemistry Journal\",\"volume\":\"27 1\",\"pages\":\"0\"},\"PeriodicalIF\":0.0000,\"publicationDate\":\"2010-08-19\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"10\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"The Open Physical Chemistry Journal\",\"FirstCategoryId\":\"1085\",\"ListUrlMain\":\"https://doi.org/10.2174/1874067701004010017\",\"RegionNum\":0,\"RegionCategory\":null,\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"\",\"JCRName\":\"\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"The Open Physical Chemistry Journal","FirstCategoryId":"1085","ListUrlMain":"https://doi.org/10.2174/1874067701004010017","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"","JCRName":"","Score":null,"Total":0}
IR Spectra and Vibrational Modes of the Hydrofluoroethers CF3OCH3, CF3OCF2H, and CF3OCF2CF2H and Corresponding Alkanes CF3CH3, CF3CF2H, and CF3CF2CF2H~!2010-03-11~!2010-05-19~!2010-08-06~!
The structures and IR spectra of CF3OCH3, CF3OCF2H, and CF3OCF2CF2H and corresponding alkanes CF3CH3, CF3CF2H, and CF3CF2CF2H have been calculated using the B3LYP method with a 6-311G(2d,2p) basis set. The calculated IR spectra are consistent with, and provide additional confidence in, the available experimental data.
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
