期刊
CHEMICAL PHYSICS LETTERS
卷 469, 期 4-6, 页码 266-269出版社
ELSEVIER SCIENCE BV
DOI: 10.1016/j.cplett.2009.01.008
关键词
-
资金
- R. A. Welch Foundation [B-1174]
- UNT Faculty Research Fund
- NSF [CHE-0741936]
The rate constant k(1) for Cl + C6H5Cl -> products has been studied via the pulsed laser photolysis-time-resolved resonance fluorescence technique over 710-1030 K. The results may be summarized as k(1) = (1.36 +/- 0.47) x 10(10) cm(3) molecule(1) s(1) exp{-(42.5 +/- 2.5) kJ mol(1)/RT}. The quoted uncertainties are +/- 1 sigma, and the 95% confidence limit for k(1) is +/- 21%. The major pathway is proposed to be formation of HCl and chlorophenyl radicals. Density functional calculations suggest the most favorable product is 3-chlorophenyl arising from attack meta to the C - Cl bond. (C) 2009 Elsevier B. V. All rights reserved.
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