Investigations on polymerization reaction mechanism of maleic anhydrideⅠ: Electronic structures of maleic anhydride in the ground- and excited- states

Acta Chimica Sinica ›› 1998, Vol. 56 ›› Issue (8): 755-759. Previous Articles Next Articles

Original Articles

马来酸酐均聚反应机理的理论研究Ⅰ: 马来酸酐的基态和激发态电子结构

俞马宏;陆路德;杨绪杰;陈守文;汪信

南京理工大学化工学院

发布日期:1998-08-15

Investigations on polymerization reaction mechanism of maleic anhydrideⅠ: Electronic structures of maleic anhydride in the ground- and excited- states

YU MAHONG;LU LUDE;YANG XUJIE;CHEN SHOUWEN;WANG XIN

Published:1998-08-15

Abstract

The electronic structure, charge distribution and bond orders of maleic anhydride in ground and excited state have been calculated using an AM1 method. Its HOMO and LUMO are π-bonding and π*-antibonding MOs of bond C=C respectively. The mechanism of polymerization reaction of maleic anhydride are discussed on the basis of electronic microstructures. Calculation results satisfactorily explain the experimental facts.

Key words: REACTION MECHANISM, MALEIC ANHYDRIDE, POLYMERIZATION, EXCITED STATE, ELECTRONIC STRUCTURE, HOMOPOLYMER, CHARGE DISTRIBUTION, GROUND STATE, AM1

CLC Number:

O621.16

Cite this article

YU MAHONG;LU LUDE;YANG XUJIE;CHEN SHOUWEN;WANG XIN. Investigations on polymerization reaction mechanism of maleic anhydrideⅠ: Electronic structures of maleic anhydride in the ground- and excited- states[J]. Acta Chimica Sinica, 1998, 56(8): 755-759.

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马来酸酐均聚反应机理的理论研究Ⅰ: 马来酸酐的基态和激发态电子结构

Investigations on polymerization reaction mechanism of maleic anhydrideⅠ: Electronic structures of maleic anhydride in the ground- and excited- states

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