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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