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Accessibility information
Author(s):   Zhu, R.S.; Xu, S.C.; Lin, M.C.
Title:   Ab initio chemical kinetics for the reactions of N2 with singlet and triplet C2O radicals
Journal:   Chem. Phys. Lett.
Volume:   488
Page(s):   121 - 125
Year:   2010
Reference type:   Journal article
Squib:   2010ZHU/XU121-125

Reaction:   N2 + C2O3CNN + CO
Reaction order:   2
Temperature:   800 - 3000 K
Rate expression:   3.5x10-11 [cm3/molecule s] e-153971 [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/RRKM/Master Equation technique.

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Rate constant values calculated from the Arrhenius expression:

T (K)k(T) [cm3/molecule s]
800 3.10E-21
900 4.06E-20
1000 3.17E-19
1100 1.71E-18
1200 6.95E-18
1300 2.28E-17
1400 6.30E-17
1500 1.52E-16
1600 3.29E-16
1700 6.50E-16
1800 1.19E-15
1900 2.05E-15
2000 3.33E-15
2100 5.18E-15
2200 7.73E-15
2300 1.12E-14
2400 1.56E-14
2500 2.12E-14
2600 2.82E-14
2700 3.68E-14
2800 4.70E-14
2900 5.90E-14
3000 7.30E-14