QUANTUM-CHEMICAL STUDY ON THE TAUTOMERIC MECHANISM OF PHOTODECARBONYLATION REACTION OF ACROLEIN

Authors
LI LC HUANG ZP TANG ZH
Citation
Lc. Li et al., QUANTUM-CHEMICAL STUDY ON THE TAUTOMERIC MECHANISM OF PHOTODECARBONYLATION REACTION OF ACROLEIN, Huaxue xuebao, 56(8), 1998, pp. 742-746
Citations number
15
Categorie Soggetti
Chemistry
Journal title
Huaxue xuebao → ACNP
ISSN journal
05677351
Volume
56
Issue
8
Year of publication
1998
Pages
742 - 746
Database
ISI
SICI code
0567-7351(1998)56:8<742:QSOTTM>2.0.ZU;2-0
Abstract
AM1 method has been used to study the reaction pathway of acrolein in the basis state and the excited states. Comparing different reaction b arriers and intermediate - products stability, we have deduced the mec hanism theoretically.