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Intramolecular Hydrogen Bonding in Beta Ketols: Conformations and Nature of the Chelated Species

 

作者: H. Fakhraian,   A. Cosse-Barbi,   J.P. Doucet,  

 

期刊: Spectroscopy Letters  (Taylor Available online 1991)
卷期: Volume 24, issue 2  

页码: 243-253

 

ISSN:0038-7010

 

年代: 1991

 

DOI:10.1080/00387019108020653

 

出版商: Taylor & Francis Group

 

关键词: Hydrogen bond;Ketols;Infrared;Conformations;Theoretical Calculations

 

数据来源: Taylor

 

摘要:

For five β-ketols of varying substitutions, analysis of the associatedvOH band, and examination of the X-ray data of analogous fragments evidence two different intramolecular association processes of weak and high energy, respectively attributed to eclipsed or bisected chelates. MM2 or semi empirical calculations do not give results quite consistent with experiment, suggesting some caution as to their use for interpreting hydrogen bonding effects in such systems.

 

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