Quantum-chemical investigation of the amination of ethylene oxide

Journal Article · Sat Jun 01 00:00:00 EDT 1985 · J. Gen. Chem. USSR (Engl. Transl.); (United States)

OSTI ID:7202747

Shibaew, A Yu; Astrat'eva, N V; Tereshchenko, G F

The object of this work was the theoretical study of possible forms of activated ethylene oxide and their reactivities toward ammonia. It was shown by the MINDO/3 method that the amination of ethylene oxide in the gas phase goes with difficulty but is considerably facilitated by the presence of a proton donor, which is in good accord with the experimental data. The activation of ethylene oxide by the ammonium ion is shown to be most probable. The lower the activation energy in the series studied, the closer the transition state in structure to the reactants.

• OSTI ID: 7202747
• Journal Information: J. Gen. Chem. USSR (Engl. Transl.); (United States), Journal Name: J. Gen. Chem. USSR (Engl. Transl.); (United States) Vol. 54:12, PT 2; ISSN JGCHA
• Country of Publication: United States
• Language: English

Related Subjects

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
400201* -- Chemical & Physicochemical Properties
ACTIVATION ENERGY
ALKANES
ALKENES
AMINATION
AMMONIA
AMMONIUM COMPOUNDS
BINDING ENERGY
CATALYTIC EFFECTS
CHEMICAL BONDS
CHEMICAL REACTION KINETICS
CHEMICAL REACTION YIELD
CHEMICAL REACTIONS
ENERGY
EPOXIDES
ETHYLENE
HYDRIDES
HYDROCARBONS
HYDROGEN COMPOUNDS
KINETICS
NITROGEN COMPOUNDS
NITROGEN HYDRIDES
ORGANIC COMPOUNDS
ORGANIC OXYGEN COMPOUNDS
QUANTITY RATIO
REACTION KINETICS
VALENCE
YIELDS