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Theoretical study on the hydroxide ion addition to esters

Authors :
Enrique Sánchez Marcos
J.J. Maraver
J. Bertran
Source :
Journal of Molecular Structure: THEOCHEM. 150:251-258
Publication Year :
1987
Publisher :
Elsevier BV, 1987.

Abstract

By means of the MINDO/3 method the potential surfaces for the method of attack of hydroxide ion on methyl formate and methyl oxalate anion have been studied. In the case of the neutral ester three competitive mechanisms have been found, in good agreemen with experimental results in the gas phase.

Details

ISSN :
01661280
Volume :
150
Database :
OpenAIRE
Journal :
Journal of Molecular Structure: THEOCHEM
Accession number :
edsair.doi...........fbaf4c24aa62160462debf575dc38159
Full Text :
https://doi.org/10.1016/0166-1280(87)85023-6