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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 + SiHCl2 → SiCl4 + 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.
View full bibliographic record.
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 |