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.


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