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Title: The phenyl plus phenyl reaction as pathway to benzynes: An experimental and theoretical study
Journal: Chem. Phys. Lett.
Volume: 513
Page(s): 20 - 26
Year: 2011
Reference type: Journal article
Squib: 2011DUR/OLZ20-26
Reaction:
Phenyl + Phenyl → m-C6H4 + Benzene
Reaction order:
2
Temperature:
1000 - 2000
K
Rate expression:
7.22x10-15 [cm3/molecule s] (T/298 K)3.10 e-13469 [J/mole]/RT
Category: Theory
Data type:
Transition state theory
Pressure dependence:
Rate constant is pressure independent
Comments:
Reaction potential energy surface was studied using quantum chemistry and rate constants were calculated using transition state theory.
View full bibliographic record.
Rate constant values calculated from the Arrhenius expression:
| T (K) | k(T) [cm3/molecule s] |
|---|---|
| 1000 | 6.10E-14 |
| 1100 | 9.49E-14 |
| 1200 | 1.41E-13 |
| 1300 | 2.00E-13 |
| 1400 | 2.75E-13 |
| 1500 | 3.68E-13 |
| 1600 | 4.81E-13 |
| 1700 | 6.16E-13 |
| 1800 | 7.75E-13 |
| 1900 | 9.61E-13 |
| 2000 | 1.18E-12 |