A Computational Study on the Conformational Behaviour of 1,1,2-Trihydroxyethane in Solution

Authors

Safiye Sağ ERDEM
Tereza VARNALI
Viktorya AVİYENTE

Abstract

The conformational space of 1,1,2-trihydroxyethane were investigated with the PM3 method both in gas phase and in solution. Ab initio calculations at 6-31G level were also conformational equilibria in solution were studied and used to explain the behaviour of 2-hydroxycyclohexanone propylene and ethylene ketals.

DOI

-

First Page

50

Last Page

58

Recommended Citation

ERDEM, S. S, VARNALI, T, & AVİYENTE, V (1997). A Computational Study on the Conformational Behaviour of 1,1,2-Trihydroxyethane in Solution. Turkish Journal of Chemistry 21 (1): 50-58. https://doi.org/-