THEORETICAL-STUDY OF RADICAL-ANIONS OF POLYCHLORODIBENZO-P-DIOXINS

被引：1

作者：

BORISOV, YA

VOROBIEVA, NP

机构：

[1] A. N. Nesmeyanov Institute of Organoelement Compounds, Russian Academy of Sciences, Moscow, 117813

来源：

RUSSIAN CHEMICAL BULLETIN | 1994年 / 43卷 / 11期

关键词：

POLYCHLORODIBENZO-P-DIOXINS; ELECTRON AFFINITY; ELIMINATION OF CHLORIDE ANION;

D O I：

10.1007/BF00696303

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

The electronic and energetic properties of radical anions of dibenzo-p-dioxins with different number and positions of chlorine atoms in the molecules are investigated by the AM1 method. The stability of radical anions regarding the elimination of chloride anion is studied. There is no obvious difference in dissociation energies of alpha- and beta-chlorinated dioxins. Isomeric structure of polychlorinated dibenzo-p-dioxins influences electron affinity, beta-chlorinated dioxins having higher values.

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页码：1792 / 1794

页数：3

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