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The application of overtone spectroscopy to investigation of CH bond lengths and molecular conformations

 

作者: BryanR. Henry,   KathleenM. Gough,   MichaelG. Sowa,  

 

期刊: International Reviews in Physical Chemistry  （Taylor Available online 1986）
卷期: Volume 5, issue 2-3  

页码: 133-138

 

ISSN:0144-235X

 

年代: 1986

 

DOI:10.1080/01442358609353374

 

出版商: Taylor & Francis Group

 

数据来源: Taylor

 

摘要:

Overtone spectroscopy, through the local-mode model, can be used to determine CH bond lengths in substituted aromatic molecules. These highly accurate bond lengths correlate remarkably well with geometry-optimizedab initioMO calculations at the 4-21G level. The spectra can also be used to obtain dynamic information on such processes as methyl internal rotation in toluene.

 

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