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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:   SiCl3SiHCl2SiHCl3 + SiCl2
Reaction order:   1
Temperature:   873 - 1373 K
Pressure:  1.01 bar
Rate expression:   2.1x1012 [s-1] e-175310 [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. Arrhenius equation is given only for the pressure of 1 atm.

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Rate constant values calculated from the Arrhenius expression:

T (K)k(T) [s-1]
873 6.81E1
900 1.41E2
950 4.82E2
1000 1.46E3
1050 3.99E3
1100 9.95E3
1150 2.29E4
1200 4.91E4
1250 9.92E4
1300 1.90E5
1350 3.46E5
1373 4.50E5