INVESTIGATIONS ON POLYMERIZATION REACTION-MECHANISM OF MALEIC-ANHYDRIDE - I - ELECTRONIC-STRUCTURES OF MALEIC-ANHYDRIDE IN THE GROUND-STATES AND EXCITED-STATES

Authors
YU MH LU LD YANG XJ CHEN SW WANG X
Citation
Mh. Yu et al., INVESTIGATIONS ON POLYMERIZATION REACTION-MECHANISM OF MALEIC-ANHYDRIDE - I - ELECTRONIC-STRUCTURES OF MALEIC-ANHYDRIDE IN THE GROUND-STATES AND EXCITED-STATES, Huaxue xuebao, 56(8), 1998, pp. 755-759
Citations number
9
Categorie Soggetti
Chemistry
Journal title
Huaxue xuebao → ACNP
ISSN journal
05677351
Volume
56
Issue
8
Year of publication
1998
Pages
755 - 759
Database
ISI
SICI code
0567-7351(1998)56:8<755:IOPROM>2.0.ZU;2-O
Abstract
The electronic structure, charge distribution and bond orders of malei c anhydride in ground and excited state have been calculated using an AM1 method. Its HOMO and LUMO are pi - bonding and pi - antibonding M Os of bond C = C respectively. The mechanism of polymerization reactio n of maleic anhydride are discussed on the basis of electionic microst ructures. Calculation results satisfactorily explain the experimental facts.