ISSN:
0894-3230
Keywords:
multinuclear magnetic resonance
;
molecular mechanics
;
MM3
;
conformation
;
methoxybenzyl alcohols
;
rotational barrier
;
substituent effect
;
steric effect
;
Chemistry
;
Theoretical, Physical and Computational Chemistry
Source:
Wiley InterScience Backfile Collection 1832-2000
Topics:
Chemistry and Pharmacology
,
Physics
Notes:
---The conformations and the dynamic behaviors of α-monoalkyl- and α,α-dialkyl-o-methoxybenzyl alcohols are discussed on the basis of their 1H, 13C and 17O NMR spectra and MM3 calculations. The conformations of α-monoalkyl derivatives are shown to be different from those of α,α-dialkyl derivatives and unfavorable to form intramolecular OH · · · O hydrogen bonds. The trends of substituent effects on the restricted rotation about the Cipso - Cα bond could be reproduced fairly well by MM3 calculations. © 1997 John Wiley & Sons, Ltd.
Additional Material:
3 Ill.
Type of Medium:
Electronic Resource
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