{"title":"水合苯甲酸和叠氮化物的力常数","authors":"W.T. Thompson, W.H. Fletcher","doi":"10.1016/0371-1951(66)80178-9","DOIUrl":null,"url":null,"abstract":"<div><p>A valence force field has been derived for hydrazoic acid using the frequencies and centrifugal distortion constants in an iterative computation. The Urey-Bradley force field is inadequate if a fit of the distortion constants is required. The force constants of HN<sub>3</sub> have been combined with those of a “standard methyl group” to predict the frequencies of methyl azide. A re-examination of the spectra of CH<sub>3</sub>N<sub>3</sub> and CD<sub>3</sub>N<sub>3</sub> plus the calculations have led to revised assignments of the fundamentals.</p></div>","PeriodicalId":101180,"journal":{"name":"Spectrochimica Acta","volume":"22 11","pages":"Pages 1907-1921"},"PeriodicalIF":0.0000,"publicationDate":"1966-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1016/0371-1951(66)80178-9","citationCount":"30","resultStr":"{\"title\":\"Force constants of hydrazoic acid and methyl azide\",\"authors\":\"W.T. Thompson, W.H. Fletcher\",\"doi\":\"10.1016/0371-1951(66)80178-9\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><p>A valence force field has been derived for hydrazoic acid using the frequencies and centrifugal distortion constants in an iterative computation. The Urey-Bradley force field is inadequate if a fit of the distortion constants is required. The force constants of HN<sub>3</sub> have been combined with those of a “standard methyl group” to predict the frequencies of methyl azide. A re-examination of the spectra of CH<sub>3</sub>N<sub>3</sub> and CD<sub>3</sub>N<sub>3</sub> plus the calculations have led to revised assignments of the fundamentals.</p></div>\",\"PeriodicalId\":101180,\"journal\":{\"name\":\"Spectrochimica Acta\",\"volume\":\"22 11\",\"pages\":\"Pages 1907-1921\"},\"PeriodicalIF\":0.0000,\"publicationDate\":\"1966-11-01\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"https://sci-hub-pdf.com/10.1016/0371-1951(66)80178-9\",\"citationCount\":\"30\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Spectrochimica Acta\",\"FirstCategoryId\":\"1085\",\"ListUrlMain\":\"https://www.sciencedirect.com/science/article/pii/0371195166801789\",\"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","FirstCategoryId":"1085","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/0371195166801789","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"","JCRName":"","Score":null,"Total":0}
Force constants of hydrazoic acid and methyl azide
A valence force field has been derived for hydrazoic acid using the frequencies and centrifugal distortion constants in an iterative computation. The Urey-Bradley force field is inadequate if a fit of the distortion constants is required. The force constants of HN3 have been combined with those of a “standard methyl group” to predict the frequencies of methyl azide. A re-examination of the spectra of CH3N3 and CD3N3 plus the calculations have led to revised assignments of the fundamentals.
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