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Author(s):   Smirnov, V.N.
Title:   Thermal dissociation of chromium hexacarbonyl and its decomposition products-Unsaturated carbonyls
Journal:   Russ. J. Phys. Chem. B
Volume:   4
Page(s):   423 - 427
Year:   2010
Reference type:   Journal article
Squib:   2010SMI423-427

Reaction:   Cr(CO)3 → Cr(CO)2 + CO
Reaction order:   1
Temperature:   300 - 1000 K
Rate expression:   1.46x1017 [s-1] (T/298 K)-1.64 e-129000 [J/mole]/RT
Category:  Theory
Data type:   Transition state theory
Pressure dependence:   Rate constant is high pressure limit
Comments:   Dissociation energies of several chromium carbonyl compounds were estimated based on the experimental data for chromium hexacarbonyl decomposition obtained in this work and the literature data on CO recombination with unsaturated chromium carbonyls. RRKM modeling was used for the analysis and for the calculation of the dissociation rate constant in the high and the lowpressure limits.

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Rate constant values calculated from the Arrhenius expression:

T (K)k(T) [s-1]
300 4.99E-6
350 6.27E-3
400 1.28E0
450 7.87E1
500 2.08E3
550 2.99E4
600 2.72E5
650 1.74E6
700 8.50E6
750 3.32E7
800 1.09E8
850 3.09E8
900 7.75E8
950 1.76E9
1000 3.66E9