The thermal decomposition of haloacetic acids: A laser pyrolysis and semiempirical study

被引：9

作者：

Hettema, H ^{[1
]}

Hore, NR ^{[1
]}

Renner, ND ^{[1
]}

Russell, DK ^{[1
]}

机构：

[1] UNIV AUCKLAND,DEPT CHEM,AUCKLAND,NEW ZEALAND

来源：

AUSTRALIAN JOURNAL OF CHEMISTRY | 1997年 / 50卷 / 04期

关键词：

D O I：

10.1071/C96122

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

Infrared laser-powered homogeneous pyrolysis, coupled with Fourier-transform infrared measurement of product distributions, has demonstrated that four different unimolecular mechanisms are significant in the initiation of gas-phase thermal decomposition of CH3COOH (1), CF3COOH (2), CH2ClCOOH (3), CHCl2COOH (4), CCl3COOH (5), CH2BrCOOH (6), and CH2ICOOH (7): decarboxylation and dehydration for (1); H-X elimination for (2)-(6); and C-X bond homolysis for (6) and (7). These conclusions are supported by the semiempirical calculation of activation energies for the possible pathways.

引用

页码：363 / 372

页数：10

共 35 条

[31] OPTIMIZATION OF EQUILIBRIUM GEOMETRIES AND TRANSITION STRUCTURES [J].