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Conforhational Analysis of 3,3-Dimethylheptane

 

作者: G.A. Crowder,  

 

期刊: Spectroscopy Letters  （Taylor Available online 1988）
卷期: Volume 21, issue 1  

页码: 89-102

 

ISSN:0038-7010

 

年代: 1988

 

DOI:10.1080/00387018808082297

 

出版商: Taylor & Francis Group

 

关键词: 3,3-Dimethylheptane;Conformational analysis;Normal coordinate analysis;Vibrational spectra;Molecular mechanics calculations

 

数据来源: Taylor

 

摘要:

Infrared and Raman spectra were obtained for 3,3-dimethylheptane and were interpreted with the aid of normal coordinate calculations. The presence of only three conformers could be verified in this way. Molecular mechanics calculations showed the probable presence of all eleven possible conformers, with concentrations ranging from 27% to 33%. Structural parameters and the heat of formation were obtained from the calculations.

 

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