Citation: Wei Jiang SI, Shu Ping ZHUO, Guan Zhi JU. Thermodynamic and Kinetic Studies on the SiH+XH₃ (X=N, P) Reactions[J]. Chinese Chemical Letters, ;2004, 15(5): 627-630. shu

Thermodynamic and Kinetic Studies on the SiH+XH₃ (X=N, P) Reactions

1.
School of Chemical Engineering, Shandong University of Technology, Zibo 255049;
2.
State Key Laboratory of coordination Chemistry, Nanjing University, Nanjing 210093

Received Date: 8 April 2003

Fund Project: This work is supported by the National Natural Science Foundation of China (No. 20173027)

Based on the quantum chemical study of the silylidyne insertion reaction with NH₃ or PH₃, the general statistical thermodynamics and Eyring transition state theory with Wigner correction are used to compute the changes of thermodynamic functions, equilibrium constants, A factors and rate constants of the two reactions in the temperature range 200-2000K. The results show that both of these reactions are thermodynamically dominant at low temperatures and kinetically favored at higher temperatures. The comparison between these two reactions shows that the SiH reaction with NH₃ is more exothermic than SiH with PH₃, while the rate constant of SiH reaction with NH₃ is lower than that of SiH with PH₃ at the same temperature.
- Silylidyne insertion reaction,
- thermodynamic and kinetic studies
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