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Mo(CO)5


Gas phase 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

Quantity Value Units Method Reference Comment
Deltafgas-151.8 ± 3.1kcal/molReviewMartinho SimõesTemperature range: 670-760 K.
Deltafgas-158. ± 5.0kcal/molReviewMartinho SimõesThe enthalpy of formation relies on -218.8 ± 0.50 kcal/mol for the enthalpy of formation of Mo(CO)6(g)

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

Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.

Individual Reactions

Molybdenum hexacarbonyl (solution) = C5MoO5 (solution) + Carbon monoxide (solution)

By formula: C6MoO6 (solution) = C5MoO5 (solution) + CO (solution)

Quantity Value Units Method Reference Comment
Deltar31.7 ± 1.4kcal/molKinSGraham and Angelici, 1967solvent: Decalin; The reaction enthalpy and entropy were identified with the enthalpy and entropy of activation for the reaction of Mo(CO)6(solution) with PBu3(solution).
Deltar30.21kcal/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 Mo(CO)6(solution) with a phosphine and an amine. The results were quoted from Graham and Angelici, 1967.

Molybdenum hexacarbonyl (g) = C5MoO5 (g) + Carbon monoxide (g)

By formula: C6MoO6 (g) = C5MoO5 (g) + CO (g)

Quantity Value Units Method Reference Comment
Deltar34.9 ± 5.0kcal/molKinGGanske and Rosenfeld, 1990 
Deltar40.5 ± 3.0kcal/molLPHPLewis, Golden, et al., 1984The reaction enthalpy at 298 K relies on an activation energy of 39.01 kcal/mol and assumes a negligible activation barrier for product recombination. The enthalpy of formation relies on -218.8 ± 0.50 kcal/mol for the enthalpy of formation of Mo(CO)6(g)
Deltar30.21kcal/molKinGCetini and Gambino, 1963Please also see Graham and Angelici, 1967. The reaction enthalpy and entropy were identified with the enthalpy and entropy of activation for the reaction of Mo(CO)6(g) with CO(g) Cetini and Gambino, 1963. The results were quoted from Graham and Angelici, 1967.

C12H16MoO5 (solution) = C5MoO5 (solution) + Heptane (solution)

By formula: C12H16MoO5 (solution) = C5MoO5 (solution) + C7H16 (solution)

Quantity Value Units Method Reference Comment
Deltar8.70kcal/molN/AMorse, Parker, et al., 1989solvent: Heptane; The reaction enthalpy was derived by using the LPHP value for the enthalpy of cleavage of Mo-CO bond in Mo(CO)6, 40.51 kcal/mol Lewis, Golden, et al., 1984, toghether with a PAC value for the reaction Mo(CO)6(solution) + n-C7H16(solution) = Mo(CO)5(n-C7H16)(solution) + CO(solution), 31.81 kcal/mol Morse, Parker, et al., 1989

C5MoO5Xe (g) = C5MoO5 (g) + Xenon (g)

By formula: C5MoO5Xe (g) = C5MoO5 (g) + Xe (g)

Quantity Value Units Method Reference Comment
Deltar8.0 ± 1.0kcal/molKinGWells and Weitz, 1992The reaction enthalpy relies on 7.4 ± 1.0 kcal/mol for the activation energy and on the assumption of a negligible barrier for product recombination Wells and Weitz, 1992

C5MoO5 (g) = C4MoO4 (g) + Carbon monoxide (g)

By formula: C5MoO5 (g) = C4MoO4 (g) + CO (g)

Quantity Value Units Method Reference Comment
Deltar29.49kcal/molKinGRayner, Ishikawa, et al., 1991 
Deltar27.0 ± 5.0kcal/molKinGGanske and Rosenfeld, 1990 
Deltar35. ± 15.kcal/molMBPSVenkataraman, Hou, et al., 1990 

References

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

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

Martinho Simões
Martinho Simões, J.A., Private communication (see http://webbook.nist.gov/chemistry/om/). [all data]

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]

Ganske and Rosenfeld, 1990
Ganske, J.A.; Rosenfeld, R.N., J. Phys. Chem., 1990, 94, 4315. [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]

Cetini and Gambino, 1963
Cetini, G.; Gambino, O., Atti Accad. Sci. Torino, Classe Sci. Fis. Mat. Nat., 1963, 97, 757. [all data]

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


Notes

Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, References