Reaction F + C2H4: Rate Constant and Yields of the Reaction Products as a Function of Temperature over 298-950 K

被引:6
作者
Bedjanian, Yuri [1 ]
机构
[1] CNRS, ICARE, F-45071 Orleans 2, France
关键词
FLUORINE-ATOMS; RATE CONSTANTS; F-18; ATOMS; GAS-PHASE; F+C2H4; ABSTRACTION; RADICALS; ETHYLENE; H+C2H4; C2H4;
D O I
10.1021/acs.jpca.8b01371
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 kinetics and products of the reaction of F + C2H4 have been studied in a discharge flow reactor combined with an electron impact ionization mass spectrometer at nearly 2 Torr total pressure of helium in the temperature range 298-950 K. The total rate constant of the reaction, k(1) = (1.78 +/- 0.30) x 10(-10) cm(3) molecule(-1) s(-1), determined under pseudo-first-order conditions, monitoring the kinetics of F atom consumption in excess of C2H4, was found to be temperature independent in the temperature range used. H, C2H3F, and HF were identified as the reaction products. Absolute measurements of the yields of these species allowed to determine the branching ratios, k(1b)/k(1) = (0.73 +/- 0.07) exp(-(425 +/- 45)/T) and k(1a)/k(1) = 1 (0.73 +/- 0.07) exp(-(425 +/- 45)/T) and partial rate constants for addition elimination (H + C2H3F) and H atom abstraction (HF + C2H3) pathways of the title reaction: k(1a) = (0.80 +/- 0.07) X 10(-10)exp(189 +/- 37/T) and km = (1.26 +/- 0.13) X 10(-10)exp(-414 +/- 45/T) cm(3) molecule(-1) s(-1), respectively, at T = 298-950 K and with 2 sigma quoted uncertainties. The overall reaction rate constant can be adequately described by both the temperature independent value and as a sum of k(1a) and km. The kinetic and mechanistic data from the present study are discussed in comparison with previous absolute and relative measurements and theoretical calculations.
引用
收藏
页码:3156 / 3162
页数:7
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