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Author(s):   Noda, K.; Kunioshi, N.; Fuwa, A.
Title:   Pressure Dependence of Rate Coefficients for Formation and Dissociation of Pentachlorodisilane and Related Chemical Activation Reactions
Journal:   Int. J. Chem. Kinet.
Volume:   49
Page(s):   584 - 595
Year:   2017
Reference type:   Journal article
Squib:   2017NOD/KUN584-595

Reaction:   SiCl3 + SiHCl2SiCl4 + SiHCl
Reaction order:   2
Temperature:   873 - 1373 K
Pressure:  1.01 bar
Rate expression:   1.48x10-12 [cm3/molecule s] e-25355 [J/mole]/RT
Category:  Theory
Data type:   Transition state theory
Pressure dependence:   Rate constant is pressure dependent
Comments:   Reaction potential energy surface was studied using quantum chemistry and rate constants were calculated for wide ranges of temperatures and pressures (0.1 - 100 atm) using transition state theory, RRKM, and master equation. Rate constants for individual chemically activated channels are presented as a table of Chebyshev polynomial coefficients. Arrhenius equations (quoted here) are given only for two of the channels for the pressure of 1 atm.

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Rate constant values calculated from the Arrhenius expression:

T (K)k(T) [cm3/molecule s]
873 4.49E-14
900 4.99E-14
950 5.96E-14
1000 7.00E-14
1050 8.10E-14
1100 9.24E-14
1150 1.04E-13
1200 1.16E-13
1250 1.29E-13
1300 1.42E-13
1350 1.54E-13
1373 1.60E-13