Hydrogen Bond Energy of MeOH...H2O

From: rwoods-0at0-biop.ox.ac.uk
Subject: Hydrogen Bond Energy of MeOH...H2O
Date: Thu, 22 Apr 1993 15:17:19 +0100

 Hi Netters,
     I am looking for a reference to the experimental dimer
 geometry and energy for the methanol (acceptor) ... water (donor)
 hydrogen bond dimer.  At the HF/6-31G** level (without BSSE correction)
 I calculate an energy of 5 kcal/mol at an O...H separation of about
 2 Angstroms.  This seems reasonable, considering the values for
 water dimer.  However, I chose a non-experimental geometry.
 Any assistance will be appreciated.
 Rob Woods
 Robert J. Woods, Ph.D.
 Glycobiology Institute
 Department of Biochemistry
 University of Oxford
 South Parks Road
 Oxford, OX1 3QU