{"title":"硫色素发色团的轨道对称性","authors":"Andreas A. Landman, Danita de Waal","doi":"10.1016/S1463-0184(01)00009-0","DOIUrl":null,"url":null,"abstract":"<div><p><span>Pictorial molecular orbital theory<span>, in a qualitative approach, is used in order to identify possible structures of the red chromophore in ultramarine red pigments. The known blue S</span></span><sub>3</sub><sup>−⋅</sup> molecule is assumed to be the starting reagent in a concerted reaction to form the S<sub>4</sub> molecule. Different proposed structures for the S<sub>4</sub><span> species are tested. Applying the frontier orbital symmetry rules of Woodward and Hoffmann eliminates the tetrahedral S</span><sub>4</sub> structure as a possibility.</p></div>","PeriodicalId":10766,"journal":{"name":"Crystal Engineering","volume":"4 2","pages":"Pages 159-169"},"PeriodicalIF":0.0000,"publicationDate":"2001-06-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1016/S1463-0184(01)00009-0","citationCount":"5","resultStr":"{\"title\":\"Orbital symmetry in sulphur pigmentary chromophores\",\"authors\":\"Andreas A. Landman, Danita de Waal\",\"doi\":\"10.1016/S1463-0184(01)00009-0\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><p><span>Pictorial molecular orbital theory<span>, in a qualitative approach, is used in order to identify possible structures of the red chromophore in ultramarine red pigments. The known blue S</span></span><sub>3</sub><sup>−⋅</sup> molecule is assumed to be the starting reagent in a concerted reaction to form the S<sub>4</sub> molecule. Different proposed structures for the S<sub>4</sub><span> species are tested. Applying the frontier orbital symmetry rules of Woodward and Hoffmann eliminates the tetrahedral S</span><sub>4</sub> structure as a possibility.</p></div>\",\"PeriodicalId\":10766,\"journal\":{\"name\":\"Crystal Engineering\",\"volume\":\"4 2\",\"pages\":\"Pages 159-169\"},\"PeriodicalIF\":0.0000,\"publicationDate\":\"2001-06-09\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"https://sci-hub-pdf.com/10.1016/S1463-0184(01)00009-0\",\"citationCount\":\"5\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Crystal Engineering\",\"FirstCategoryId\":\"1085\",\"ListUrlMain\":\"https://www.sciencedirect.com/science/article/pii/S1463018401000090\",\"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/S1463018401000090","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"","JCRName":"","Score":null,"Total":0}
Orbital symmetry in sulphur pigmentary chromophores
Pictorial molecular orbital theory, in a qualitative approach, is used in order to identify possible structures of the red chromophore in ultramarine red pigments. The known blue S3−⋅ molecule is assumed to be the starting reagent in a concerted reaction to form the S4 molecule. Different proposed structures for the S4 species are tested. Applying the frontier orbital symmetry rules of Woodward and Hoffmann eliminates the tetrahedral S4 structure as a possibility.
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