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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)6CO + Cr(CO)5
Reaction order:   1
Temperature:   300 - 1000 K
Rate expression:   2.84x1017 [s-1] (T/298 K)-1.64 e-165000 [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 5.25E-12
350 5.18E-8
400 4.98E-5
450 1.02E-2
500 7.04E-1
550 2.22E1
600 3.90E2
650 4.35E3
700 3.41E4
750 2.02E5
800 9.48E5
850 3.69E6
900 1.23E7
950 3.59E7
1000 9.39E7