Cr(CO)5


Reaction thermochemistry data

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: José A. Martinho Simões

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Individual Reactions

Chromium hexacarbonyl (solution) = C5CrO5 (solution) + Carbon monoxide (solution)

By formula: C6CrO6 (solution) = C5CrO5 (solution) + CO (solution)

Quantity Value Units Method Reference Comment
Δr40.20 ± 0.60kcal/molKinSGraham and Angelici, 1967solvent: Decalin; The reaction enthalpy and entropy were identified with the enthalpy and entropy of activation for the reaction of Cr(CO)6(solution) with PBu3(solution).
Δr38.10kcal/molKinSWerner and Prinz, 1966solvent: n-Decane+cyclohexane mixture; The reaction enthalpy and entropy were identified with the enthalpy and entropy of activation for the reactions of Cr(CO)6(solution) with a phosphine and an amine. The results were quoted from Graham and Angelici, 1967.

Chromium hexacarbonyl (g) = C5CrO5 (g) + Carbon monoxide (g)

By formula: C6CrO6 (g) = C5CrO5 (g) + CO (g)

Quantity Value Units Method Reference Comment
Δr37.0 ± 5.0kcal/molKinGFletcher and Rosenfeld, 1988 
Δr36.8 ± 3.0kcal/molLPHPLewis, Golden, et al., 1984Temperature range: 740-820 K. The reaction enthalpy at 298 K relies on an activation energy of 35.30 kcal/mol and assumes a negligible activation barrier for product recombination.
Δr38.70kcal/molKinGPajaro, Calderazzo, et al., 1960Please also see Graham and Angelici, 1967. The reaction enthalpy and entropy were identified with the enthalpy and entropy of activation for the reaction of Cr(CO)6(g) with CO(g) Pajaro, Calderazzo, et al., 1960. The results were quoted from Graham and Angelici, 1967.

C12H16CrO5 (solution) = Heptane (solution) + C5CrO5 (solution)

By formula: C12H16CrO5 (solution) = C7H16 (solution) + C5CrO5 (solution)

Quantity Value Units Method Reference Comment
Δr9.61kcal/molN/AMorse, Parker, et al., 1989solvent: Heptane; The reaction enthalpy was derived by using the LPHP value for the enthalpy of cleavage of Cr-CO bond in Cr(CO)6, 36.81 kcal/mol Lewis, Golden, et al., 1984, toghether with a PAC value for the reaction Cr(CO)6(solution) + n-C7H16(solution) = Cr(CO)5(n-C7H16)(solution) + CO(solution), 27.20 kcal/mol Morse, Parker, et al., 1989
Δr9.8kcal/molN/AYang, Vaida, et al., 1988solvent: Heptane; The reaction enthalpy was derived by using the LPHP value for the enthalpy of cleavage of Cr-CO bond in Cr(CO)6, 36.81 kcal/mol Lewis, Golden, et al., 1984, toghether with a PAC value for the reaction Cr(CO)6(solution) + n-C7H16(solution) = Cr(CO)5(n-C7H16)(solution) + CO(solution), 26.98 kcal/mol Yang, Peters, et al., 1986

C10H12CrO5 (solution) = Pentane (solution) + C5CrO5 (solution)

By formula: C10H12CrO5 (solution) = C5H12 (solution) + C5CrO5 (solution)

Quantity Value Units Method Reference Comment
Δr8.91kcal/molN/AMorse, Parker, et al., 1989solvent: Pentane; The reaction enthalpy was derived by using the LPHP value for the enthalpy of cleavage of Cr-CO bond in Cr(CO)6, 36.81 kcal/mol Lewis, Golden, et al., 1984, toghether with a PAC value for the reaction Cr(CO)6(solution) + n-C5H12(solution) = Cr(CO)5(n-C5H12)(solution) + CO(solution), 27.89 kcal/mol Morse, Parker, et al., 1989

C7H4CrO5 (g) = C5CrO5 (g) + Ethylene (g)

By formula: C7H4CrO5 (g) = C5CrO5 (g) + C2H4 (g)

Quantity Value Units Method Reference Comment
Δr25.1 ± 1.kcal/molKinGMcNamara, Becher, et al., 1994The reaction enthalpy was identified with the activation energy.
Δr24.7 ± 2.4kcal/molKinGWells, House, et al., 1994The reaction enthalpy relies on the measured activation energy and on the assumption of a negligible barrier for product recombination Wells, House, et al., 1994.

C5CrO5Xe (g) = C5CrO5 (g) + Xenon (g)

By formula: C5CrO5Xe (g) = C5CrO5 (g) + Xe (g)

Quantity Value Units Method Reference Comment
Δr9.01 ± 0.91kcal/molKinGWells and Weitz, 1992The reaction enthalpy relies on 8.39 ± 0.91 kcal/mol for the activation energy and assumes a negligible barrier for product recombination Wells and Weitz, 1992

C5H2CrO5 (g) = Hydrogen (g) + C5CrO5 (g)

By formula: C5H2CrO5 (g) = H2 (g) + C5CrO5 (g)

Quantity Value Units Method Reference Comment
Δr15.0 ± 1.3kcal/molKinGWells, House, et al., 1994The reaction enthalpy relies on the measured activation energy and on the assumption of a negligible barrier for product recombination Wells, House, et al., 1994.

C7CrF4O5 (g) = Ethene, tetrafluoro- (g) + C5CrO5 (g)

By formula: C7CrF4O5 (g) = C2F4 (g) + C5CrO5 (g)

Quantity Value Units Method Reference Comment
Δr19.7 ± 1.4kcal/molKinGWells, House, et al., 1994The reaction enthalpy relies on the measured activation energy and on the assumption of a negligible barrier for product recombination Wells, House, et al., 1994.

C5CrO5 (g) = C4CrO4 (g) + Carbon monoxide (g)

By formula: C5CrO5 (g) = C4CrO4 (g) + CO (g)

Quantity Value Units Method Reference Comment
Δr33.0kcal/molKinGRayner, Ishikawa, et al., 1991 
Δr40. ± 15.kcal/molMBPSVenkataraman, Hou, et al., 1990 
Δr25.1 ± 5.0kcal/molKinGFletcher and Rosenfeld, 1988 

C6H4CrO5 (g) = C5CrO5 (g) + Methane (g)

By formula: C6H4CrO5 (g) = C5CrO5 (g) + CH4 (g)

Quantity Value Units Method Reference Comment
Δr8.0 ± 2.0kcal/molKG/ESTWells, House, et al., 1994 

Gas phase ion energetics data

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: John E. Bartmess

View reactions leading to C5CrO5+ (ion structure unspecified)

Electron affinity determinations

EA (eV) Method Reference Comment
>2.26361IMRBSallans, Lane, et al., 1985 

References

Go To: Top, Reaction thermochemistry data, Gas phase ion energetics data, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Graham and Angelici, 1967
Graham, J.R.; Angelici, R.J., Inorg. Chem., 1967, 6, 2082. [all data]

Werner and Prinz, 1966
Werner, H.; Prinz, R., Chem. Ber., 1966, 99, 3582. [all data]

Fletcher and Rosenfeld, 1988
Fletcher, R.T.; Rosenfeld, R.N., Recombination of Cr(CO)n with CO: Kinetics and Bond Dissociation Energies, J. Am. Chem. Soc., 1988, 110, 7, 2097, https://doi.org/10.1021/ja00215a014 . [all data]

Lewis, Golden, et al., 1984
Lewis, K.E.; Golden, D.M.; Smith, G.P., Organometallic bond dissociation energies: Laser pyrolysis of Fe(CO)5, Cr(CO)6, Mo(CO)6, and W(CO)6, J. Am. Chem. Soc., 1984, 106, 3905. [all data]

Pajaro, Calderazzo, et al., 1960
Pajaro, G.; Calderazzo, F.; Ercoli, R., Gazz. Chim. Ital., 1960, 90, 1486. [all data]

Morse, Parker, et al., 1989
Morse, J.M., Jr.; Parker, G.H.; Burkey, T.J., Organometallics, 1989, 8, 2471. [all data]

Yang, Vaida, et al., 1988
Yang, G.K.; Vaida, V.; Peters, K.S., Polyhedron, 1988, 7, 1619. [all data]

Yang, Peters, et al., 1986
Yang, G.K.; Peters, K.S.; Vaida, V., Chem. Phys. Lett., 1986, 125, 566. [all data]

McNamara, Becher, et al., 1994
McNamara, B.; Becher, D.M.; Towns, M.H.; Grant, E.R., J. Phys. Chem., 1994, 98, 4622. [all data]

Wells, House, et al., 1994
Wells, J.R.; House, P.G.; Weitz, E., J. Phys. Chem., 1994, 98, 8343. [all data]

Wells and Weitz, 1992
Wells, J.R.; Weitz, E., J. Am. Chem. Soc., 1992, 114, 2783. [all data]

Rayner, Ishikawa, et al., 1991
Rayner, D.M.; Ishikawa, Y.; Brown, C.E.; Hackett, P.A., J. Chem. Phys., 1991, 94, 5471. [all data]

Venkataraman, Hou, et al., 1990
Venkataraman, B.; Hou, H.; Zhang, Z.; Chen, S.; Bandukwalla, G.; Vernon, M., J. Chem. Phys., 1990, 92, 5338. [all data]

Sallans, Lane, et al., 1985
Sallans, L.; Lane, K.R.; Squires, R.R.; Freiser, B.S., Generation and reactions of atomic metal anions in the gas phase. Determination of the heterolytic and homolytic bond energies of VH, VrH, FeH, CoH, and MoH, J. Am. Chem. Soc., 1985, 107, 4379. [all data]


Notes

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