multinuclear magnetic resonance
Theoretical, Physical and Computational Chemistry
Wiley InterScience Backfile Collection 1832-2000
Chemistry and Pharmacology
---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.
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