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Vibrational Force Field for 1-Butyne and Propionitrile

 

作者: G.A. Crowder,  

 

期刊: Spectroscopy Letters  （Taylor Available online 1987）
卷期: Volume 20, issue 4  

页码: 343-350

 

ISSN:0038-7010

 

年代: 1987

 

DOI:10.1080/00387018708081555

 

出版商: Taylor & Francis Group

 

关键词: 1-Butyne;Propionitrile;Force field;Normal coordinate calculations

 

数据来源: Taylor

 

摘要:

Normal coordinate calculations were made for 1-butyne and propionitrile, using a thirty-parameter modified valence force field. Only the C=X stretching force constant was assumed to be different in the two molecules. Fifteen force constants were refined to fit forty frequencies of the two molecules, with the average error being only 2.0 cm−1, or 0.16%.

 

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