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Accessibility information
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:   SiCl3SiHCl2SiCl4 + SiHCl
Reaction order:   1
Temperature:   873 - 1373 K
Pressure:  1.01 bar
Rate expression:   4.24x1011 [s-1] e-192882 [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 1.22E0
900 2.71E0
950 1.05E1
1000 3.57E1
1050 1.08E2
1100 2.94E2
1150 7.35E2
1200 1.70E3
1250 3.69E3
1300 7.54E3
1350 1.46E4
1373 1.95E4