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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