Vibrational and conformational analysis of chloromethylacetate and some deuterated derivatives |
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| Affiliation: | 1. Key Laboratory for Tissue Engineering of Jiangxi Province, School of Medical Information Engineering, Gannan Medical University, Ganzhou 341000, China;2. School of Big Data and Information Engineering, Guizhou University, Guiyang 550025, China;3. College of Physics & Electronic Information, Nanchang Normal University, Nanchang 330032, China;4. School of Electronic Information and Electrical Engineering, Changsha University, Changsha 410022, China;5. College of Computer Science and Electronic Engineering, Hunan University, Changsha 410082, China;1. Department of Materials Engineering, Federal University of São Carlos, Graduate Program in Materials Science and Engineering, 13565-905, São Carlos, SP, Brazil;2. Physics Department, Federal University of São Carlos, 13565-905, São Carlos, SP, Brazil;3. Department of Materials Science and Engineering, University of California at Davis, Davis, CA 95616, USA |
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| Abstract: | The i.r. spectra of gaseous, amorphous and crystalline solid and the Raman spectra of liquid and amorphous solid chloromethylacetate, CH3COOCH2Cl, and three deuterated derivatives, CH3COOCD2Cl, CD3COOCH2Cl and CD3COOCD2Cl, were obtained and an assignment proposed. Only one conformer of CMA was found to be present in all phases. Band contour simulation of the i.r. vapour phase bands showed this to be the s-cis gauche conformer. This was confirmed by a study of the partially deuterated compound CD3COOCDHCl, of which the separate transitions originating from the antiperiplanar and synclinal isolated CH stretches were observed in the i.r. spectra of the vapour and crystalline solid and in the Raman spectrum of the vapour. |
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