
%0 Journal Article
%A Sheldon, JC 
%T A theoretical study of adduct formation between methanolate and Propan-2-one
%J Australian Journal of Chemistry
%D 1981/06/01
%V 34
%N 6
%P 1189-1193
%K 
%R https://doi.org/10.1071/CH9811189
%U https://www.publish.csiro.au/paper/CH9811189 
%X Ab initio molecular orbital calculations at the STO-3G level of approximation predict that the methoxide anion bonds through its oxygen atom to form complexes with acetone in at least three different ways: (i) A tetrahedral adduct at the carbonyl carbon (&#916;E -262 kJ mol-1). (ii) A hydrogen-bond complex with a single hydrogen of one methyl group (- 100 kJ mol-1). (iii) A symmetrical bidentate hydrogen-bond complex with a hydrogen from each acetone methyl group (- 143 kJ mol-1). 
