{"title":"5-甲氧基吲哚第一个吸收带S0→S1和S0→S2的研究","authors":"A Kadiri, B Kabouchi","doi":"10.1016/0584-8539(94)80183-5","DOIUrl":null,"url":null,"abstract":"<div><p>The experimental and theoretical results obtained for 5-methoxyindole (5MOI) indicate a large energetic difference between the <em>S</em><sub>0</sub> → <em>S</em><sub>1</sub> and <em>S</em><sub>0</sub> → <em>S</em><sub>2</sub> transitions indicating a charge distribution very different from that of indole. A weak shoulder on the long wavelength side of the <em>S</em><sub>0</sub> → <em>S</em><sub>1</sub> band is attributed to a <em>n</em>π* transition associated with the methoxy substituent. This feature has previously been attributed to a hot band. The effect of solvent on the molecule and the results obtained by the quantitative quantum CNDO/2 and CNDO/M methods are discussed.</p></div>","PeriodicalId":82782,"journal":{"name":"Spectrochimica acta. Part A: Molecular spectroscopy","volume":"50 10","pages":"Pages 1783-1788"},"PeriodicalIF":0.0000,"publicationDate":"1994-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1016/0584-8539(94)80183-5","citationCount":"0","resultStr":"{\"title\":\"Etude des premières bandes d'absorption S0→S1 et S0→S2 du 5-méthoxyindole\",\"authors\":\"A Kadiri, B Kabouchi\",\"doi\":\"10.1016/0584-8539(94)80183-5\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><p>The experimental and theoretical results obtained for 5-methoxyindole (5MOI) indicate a large energetic difference between the <em>S</em><sub>0</sub> → <em>S</em><sub>1</sub> and <em>S</em><sub>0</sub> → <em>S</em><sub>2</sub> transitions indicating a charge distribution very different from that of indole. A weak shoulder on the long wavelength side of the <em>S</em><sub>0</sub> → <em>S</em><sub>1</sub> band is attributed to a <em>n</em>π* transition associated with the methoxy substituent. This feature has previously been attributed to a hot band. The effect of solvent on the molecule and the results obtained by the quantitative quantum CNDO/2 and CNDO/M methods are discussed.</p></div>\",\"PeriodicalId\":82782,\"journal\":{\"name\":\"Spectrochimica acta. Part A: Molecular spectroscopy\",\"volume\":\"50 10\",\"pages\":\"Pages 1783-1788\"},\"PeriodicalIF\":0.0000,\"publicationDate\":\"1994-09-01\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"https://sci-hub-pdf.com/10.1016/0584-8539(94)80183-5\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Spectrochimica acta. Part A: Molecular spectroscopy\",\"FirstCategoryId\":\"1085\",\"ListUrlMain\":\"https://www.sciencedirect.com/science/article/pii/0584853994801835\",\"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. Part A: Molecular spectroscopy","FirstCategoryId":"1085","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/0584853994801835","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"","JCRName":"","Score":null,"Total":0}
Etude des premières bandes d'absorption S0→S1 et S0→S2 du 5-méthoxyindole
The experimental and theoretical results obtained for 5-methoxyindole (5MOI) indicate a large energetic difference between the S0 → S1 and S0 → S2 transitions indicating a charge distribution very different from that of indole. A weak shoulder on the long wavelength side of the S0 → S1 band is attributed to a nπ* transition associated with the methoxy substituent. This feature has previously been attributed to a hot band. The effect of solvent on the molecule and the results obtained by the quantitative quantum CNDO/2 and CNDO/M methods are discussed.
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