Non-Arrhenius temperature dependence of the rate constant for the H + H2S reaction
作者： Masabumi Yoshimura , Mitsuo Koshi , Hiroyuki Matsui , Kenshu Kamiya , Hideaki Umeyama
DOI: 10.1016/0009-2614(92)85124-S
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摘要: Abstract The rate constants for the H(2S) + H2S reaction were measured behind reflected shock waves (T = 1053–2237 K) and at 293 K, in which atoms generated by ArF-laser photolysis of H2S. resulting constant, k (1.96 ± 0.7) × 10−17T2.1±0.3 exp[− (352 84) / T] cm3 molecule−1 s−1, showed a strong non-Arrhenius dependence on temperature. This is explained conventional transition-state theory combined with quantum-mechanical calculation transition state PMP4(SDTQ)6-311G**//MP2/6-31G** level.
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sci-hub.se 参考文章(22)
J. W. Sutherland, J. V. Michael, R. B. Klemm, Rate constant for the O(3P) + CH4 .fwdarw. OH + CH3 reaction obtained by the flash photolysis-shock tube technique over the temperature range 760 .ltoreq. T .ltoreq. 1760 K The Journal of Physical Chemistry. ,vol. 90, pp. 5941- 5945 ,(1986) , 10.1021/J100280A097
R. Krishnan, J. S. Binkley, R. Seeger, J. A. Pople, Self‐consistent molecular orbital methods. XX. A basis set for correlated wave functions Journal of Chemical Physics. ,vol. 72, pp. 650- 654 ,(1980) , 10.1063/1.438955
J. V. Michael, A. F. Wagner, Rate constants for the reactions O + C2H2 and O + C2D2 .fwdarw. products, over the temperature range .apprx.850-1950 K, by the flash photolysis-shock tube technique. Determination of the branching ratio and a further theoretical analysis The Journal of Physical Chemistry. ,vol. 94, pp. 2453- 2464 ,(1990) , 10.1021/J100369A047
Mitsuo Koshi, Fumitaka Tamura, Hiroyuki Matsui, Rate constants for the reactions of hydrogen atoms with SiHnF4 − n (n = 4, 3, 2) Chemical Physics Letters. ,vol. 173, pp. 235- 240 ,(1990) , 10.1016/0009-2614(90)80085-R
R. N. Goldberg, Evaluated activity and osmotic coefficients for aqueous solutions: Bi‐univalent compounds of zinc, cadmium, and ethylene bis(trimethylammonium) chloride and iodide Journal of Physical and Chemical Reference Data. ,vol. 10, pp. 1- 56 ,(1981) , 10.1063/1.555639
P. Roth, R. Löhr, U. Barner, Thermal decomposition of hydrogen sulfide at low concentrations Combustion and Flame. ,vol. 45, pp. 273- 285 ,(1982) , 10.1016/0010-2180(82)90052-9
W. J. Hehre, R. Ditchfield, J. A. Pople, Self—Consistent Molecular Orbital Methods. XII. Further Extensions of Gaussian—Type Basis Sets for Use in Molecular Orbital Studies of Organic Molecules The Journal of Chemical Physics. ,vol. 56, pp. 2257- 2261 ,(1972) , 10.1063/1.1677527
M. Frenklach, J.H. Lee, J.N. White, W.C. Gardiner, Oxidation of hydrogen sulfide Combustion and Flame. ,vol. 41, pp. 1- 16 ,(1981) , 10.1016/0010-2180(81)90035-3
M. Koshi, M. Yoshimura, K. Fukuda, H. Matsui, K. Saito, M. Watanabe, A. Imamura, Congxiang Chen, Reactions of N(4S) atoms with NO and H2 Journal of Chemical Physics. ,vol. 93, pp. 8703- 8708 ,(1990) , 10.1063/1.459257
W. Tsang, R. F. Hampson, Chemical Kinetic Data Base for Combustion Chemistry. Part I. Methane and Related Compounds Journal of Physical and Chemical Reference Data. ,vol. 15, pp. 1087- 1279 ,(1986) , 10.1063/1.555759