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Comparison Between the IR Spectra and the Structure of the Two Conformations of a Diazabicyclanol

 

作者: M. Alcolea Palafox,  

 

期刊: Spectroscopy Letters  (Taylor Available online 1994)
卷期: Volume 27, issue 9  

页码: 1165-1186

 

ISSN:0038-7010

 

年代: 1994

 

DOI:10.1080/00387019408006974

 

出版商: Taylor & Francis Group

 

关键词: Vibrational frequencies;diazabicyclanol;Infrared spectra;scaling frequencies;AMI

 

数据来源: Taylor

 

摘要:

In the two stable conformations of the diazabicyclanol 3, 7-dimethyl-3, 7-diazabicyclo[3. 3. 1]nonan-9-ol,chair-chair(Va) andchair-boat(Vb), the infrared spectra (200–4000 cm−1) were recorded, compared and their vibrations analysed. Using the AMI senlempirical method, the geometry was fully optimized in both forms, and the theoretical Infrared spectra were calculated and compared. In the (Vb) conformation, the IR spectra were recorded in CCl3D, CCl4and S2C solvents. Some correlations were established.

 

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