Thermodynamics of chlorinated phenols, polychlorinated dibenzo-p-dioxins, polychlorinated dibenzofurans, derived radicals, and intermediate species

被引：13

作者：

Burcat, A ^{[1
]}

Khachatryan, L

Dellinger, BL

机构：

[1] Technion Israel Inst Technol, Fac Aerosp Engn, IL-32000 Haifa, Israel

[2] Louisiana State Univ, Dept Chem, Baton Rouge, LA 70803 USA

来源：

JOURNAL OF PHYSICAL AND CHEMICAL REFERENCE DATA | 2003年 / 32卷 / 02期

关键词：

chlorinated and polychlorinated cyclo-C-5 compounds; dibenzo-p-dioxins and dibenzo-furans; Gaussian 98 and MOPAC calculations; phenols; thermodynamics;

D O I：

10.1063/1.1521164

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

The thermodynamics of 31 chlorinated phenols, polychlorinated dibenzo-p-dioxins, polychlorinated dibenzofurans, and some chlorinated cyclo-C-5 compounds have been calculated. Twelve of these species are radicals. Additionally the thermodynamic properties of temperature dependent tables (T = 0 K-6000 K) of the ideal gas phase thermodynamic properties are listed, together with recommended values for the structure, vibrational frequencies, and enthalpy of formation either found in the literature or calculated. (C) 2003 American Institute of Physics.

引用

页码：443 / 517

页数：75

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