Ontology highlight
ABSTRACT:
SUBMITTER: Wolters LP
PROVIDER: S-EPMC3943610 | biostudies-literature | 2014 Feb
REPOSITORIES: biostudies-literature
ChemistryOpen 20140129 1
Our purpose is to understand the mechanism through which pH affects the competition between base-induced elimination and substitution. To this end, we have quantum chemically investigated the competition between elimination and substitution pathways in H2O+C2H5OH2 (+) and OH(-)+C2H5OH, that is, two related model systems that represent, in a generic manner, the same reaction under acidic and basic conditions, respectively. We find that substitution is favored in the acidic case while elimination ...[more]