Diane A. Dickie , Deepa Abeysekera , Iain D. McKenzie , Hilary A. Jenkins , Jason A.C. Clyburne
{"title":"取代间terphenyl的晶体学研究:弱[CH3···I]相互作用的鉴定","authors":"Diane A. Dickie , Deepa Abeysekera , Iain D. McKenzie , Hilary A. Jenkins , Jason A.C. Clyburne","doi":"10.1016/S1463-0184(03)00069-8","DOIUrl":null,"url":null,"abstract":"<div><p>Crystallographic studies of 2,6-bis(2,4,6-trimethylphenyl)-4-methyliodobenzene <strong>1</strong> and 2,6-diphenyl-4-methyliodobenzene <strong>2</strong> were performed and in both cases [CH<sub>3</sub><span>···I] interactions were identified. Theoretical calculation of the dipole moment of </span><strong>1</strong> and the partial charges of the iodine and methyl hydrogens were performed. These charges, although small, suggest that they are large enough to encourage the formation of weak dipole-dipole interactions in the absence of other stabilizing forces</p></div>","PeriodicalId":10766,"journal":{"name":"Crystal Engineering","volume":"6 2","pages":"Pages 79-86"},"PeriodicalIF":0.0000,"publicationDate":"2003-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1016/S1463-0184(03)00069-8","citationCount":"6","resultStr":"{\"title\":\"Crystallographic studies on substituted m-terphenyls: identification of weak [CH3···I] interactions\",\"authors\":\"Diane A. Dickie , Deepa Abeysekera , Iain D. McKenzie , Hilary A. Jenkins , Jason A.C. Clyburne\",\"doi\":\"10.1016/S1463-0184(03)00069-8\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><p>Crystallographic studies of 2,6-bis(2,4,6-trimethylphenyl)-4-methyliodobenzene <strong>1</strong> and 2,6-diphenyl-4-methyliodobenzene <strong>2</strong> were performed and in both cases [CH<sub>3</sub><span>···I] interactions were identified. Theoretical calculation of the dipole moment of </span><strong>1</strong> and the partial charges of the iodine and methyl hydrogens were performed. These charges, although small, suggest that they are large enough to encourage the formation of weak dipole-dipole interactions in the absence of other stabilizing forces</p></div>\",\"PeriodicalId\":10766,\"journal\":{\"name\":\"Crystal Engineering\",\"volume\":\"6 2\",\"pages\":\"Pages 79-86\"},\"PeriodicalIF\":0.0000,\"publicationDate\":\"2003-06-01\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"https://sci-hub-pdf.com/10.1016/S1463-0184(03)00069-8\",\"citationCount\":\"6\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Crystal Engineering\",\"FirstCategoryId\":\"1085\",\"ListUrlMain\":\"https://www.sciencedirect.com/science/article/pii/S1463018403000698\",\"RegionNum\":0,\"RegionCategory\":null,\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"\",\"JCRName\":\"\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Crystal Engineering","FirstCategoryId":"1085","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S1463018403000698","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"","JCRName":"","Score":null,"Total":0}
Crystallographic studies on substituted m-terphenyls: identification of weak [CH3···I] interactions
Crystallographic studies of 2,6-bis(2,4,6-trimethylphenyl)-4-methyliodobenzene 1 and 2,6-diphenyl-4-methyliodobenzene 2 were performed and in both cases [CH3···I] interactions were identified. Theoretical calculation of the dipole moment of 1 and the partial charges of the iodine and methyl hydrogens were performed. These charges, although small, suggest that they are large enough to encourage the formation of weak dipole-dipole interactions in the absence of other stabilizing forces
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