DEGRADATION OF ALTERNATIVE HALOCARBONS - DECOMPOSITION PATHWAYS OF TRIFLUOROETHOXY RADICALS

被引：4

作者：

FRANCISCO, JS ^{[1
]}

LI, Z ^{[1
]}

BRADLEY, A ^{[1
]}

KNIGHT, AEW ^{[1
]}

机构：

[1] GRIFFITH UNIV,DIV SCI & TECHNOL,MOLEC DYNAM LAB,BRISBANE 4111,AUSTRALIA

来源：

CHEMICAL PHYSICS LETTERS | 1993年 / 214卷 / 01期

关键词：

D O I：

10.1016/0009-2614(93)85458-Z

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

The decomposition pathways of 2,2,2-trifluoroethoxy radicals, CF3CXYO (where X, Y = H, F or Cl) are studied using ab initio molecular orbital theory. The ab initio calculations suggest that chlorine atom elimination reactions from CF3CXYO are low activation barrier processes. When CF3CXYO contains no chlorine, carbon-carbon bond breaking processes dominate over fluorine atom or hydrogen atom dissociation processes. The atmospheric implications of these calculations are discussed.

引用

页码：77 / 84

页数：8

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