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Normal Coordinate Analysis of 3-Bromo-1,3-Dinitroazetidine

 

作者: GeneA. Crowder,   RobertL. McKenney,  

 

期刊: Spectroscopy Letters  （Taylor Available online 1998）
卷期: Volume 31, issue 5  

页码: 1097-1106

 

ISSN:0038-7010

 

年代: 1998

 

DOI:10.1080/00387019808003287

 

出版商: Taylor & Francis Group

 

关键词: 3-Bromo-1,3-dinitroazetidine;Normal coordinate calculations;Vibrational assignment

 

数据来源: Taylor

 

摘要:

The infrared spectrum of 3-bromo-1,3-dinitroazetidine was interpreted with the aid of normal coordinate calculations. A seventy-two parameter modified valence field was used in those calculations, and the observed wave numbers were fit with an average error of 2.5 cm−1. An assignment of the bands in terms of symmetry coordinates is given. Many of the force constants were transferred to 1-acetyl-3,3-dinitroazetidine to aid in normal coordinate calculations for that compound.

 

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