AM1 study of the thermolysis of n-butyl-O-R

The AM1 method has been used to study the thermolyses of n-butyl-O-R. The results obtained show that these compounds are decomposed into butylene and alcohol or phenols through an elimination involving polar four-centre cyclic transition states.

Saved in:
Bibliographic Details
Published inJournal of molecular structure. Theochem Vol. 305; pp. 197 - 200
Main Authors Hong, San-Guo, Wang, Shen
Format Journal Article
LanguageEnglish
Published Amsterdam Elsevier B.V 10.03.1994
Elsevier Science
Subjects
Chemistry
Exact sciences and technology
Kinetics and mechanisms
Organic chemistry
Reactivity and mechanisms
Pyrolysis
Bond length
Ether
Molecular structure
Aliphatic compound
Bond angle
Transition state
Theoretical study
Benzenic compound
Semiempirical method
AM1 method
Online AccessGet full text

Cover

More Information
Summary:The AM1 method has been used to study the thermolyses of n-butyl-O-R. The results obtained show that these compounds are decomposed into butylene and alcohol or phenols through an elimination involving polar four-centre cyclic transition states.
ISSN:0166-1280
1872-7999
DOI:10.1016/0166-1280(94)80155-X