
TY  - JOUR
A1  - Sheldon, JC 
T1  - A theoretical study of adduct formation between methanolate and Propan-2-one
JF  - Australian Journal of Chemistry
JO  - Aust. J. Chem.
Y1  - 1981
VL  - 34
IS  - 6
SP  - 1189
EP  - 1193
KW  - 
UR  - https://doi.org/10.1071/CH9811189 
N2  - 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). 
ER  -

