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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)5CO + Cr(CO)4
Reaction order:   1
Temperature:   300 - 1000 K
Rate expression:   2.4x1017 [s-1] (T/298 K)-1.64 e-115000 [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 2.26E-3
350 1.27E0
400 1.43E2
450 5.48E3
500 9.97E4
550 1.05E6
600 7.43E6
650 3.84E7
700 1.55E8
750 5.18E8
800 1.48E9
850 3.69E9
900 8.30E9
950 1.71E10
1000 3.25E10