title: Deuterated Ethanol as a Probe for Measuring Equilibrium Isotope Effects for Hydroxyl Exchange.
abstract: Equilibrium deuterium isotope effects for exchange of hydroxyl deuterons and protons among tert-butanol, phenol, ethanethiol, diethylamine, and ethanol were measured by using NMR and also calculated theoretically. Deuterated ethanol could be used as a probe for measuring equilibrium isotope effects (EIE) for hydroxyl exchange; tert-butanol, phenol, ethanethiol, diethylamine, and pyrrole were used as five representive examples. A procedure called the "one-atom isotope effect" was used to save time in the calculations.
authors.affiliation: Department of Chemistry, Yale University , New Haven, Connecticut 06520, United States.
authors.forename: Hai
authors.identifier: http://orcid.org/0000-0003-1610-9556
authors.initials: H
authors.lastname: Xu
authors.forename: Siqi
authors.initials: S
authors.lastname: Zhao
authors.forename: Xiang
authors.initials: X
authors.lastname: Xiong
authors.affiliation: Department of Chemistry, Yale University , New Haven, Connecticut 06520, United States.|SINOPEC Research Institute of Petroleum Processing , Beijing 100083, China.
authors.forename: Jiayao
authors.initials: J
authors.lastname: Yao
authors.affiliation: Department of Chemistry, Yale University , New Haven, Connecticut 06520, United States.
authors.forename: R James
authors.initials: RJ
authors.lastname: Cross
authors.affiliation: Department of Chemistry, Yale University , New Haven, Connecticut 06520, United States.
authors.forename: Martin
authors.initials: M
authors.lastname: Saunders