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

Authors

Safiye Sağ ERDEM
Tereza VARNALI
Viktorya AVİYENTE

DOI

-

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.

First Page

50

Last Page

58

Recommended Citation

ERDEM, Safiye Sağ; VARNALI, Tereza; and AVİYENTE, Viktorya (1997) "A Computational Study on the Conformational Behaviour of 1,1,2-Trihydroxyethane in Solution," Turkish Journal of Chemistry: Vol. 21: No. 1, Article 8. Available at: https://journals.tubitak.gov.tr/chem/vol21/iss1/8