Mo(CO)5

Formula: C₅MoO₅
Molecular weight: 236.01
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Gas phase thermochemistry data

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Data compiled by: José A. Martinho Simões

Quantity	Value	Units	Method	Reference	Comment
Δ_fH°_gas	-151.8 ± 3.1	kcal/mol	Review	Martinho Simões	Temperature range: 670-760 K.
Δ_fH°_gas	-158. ± 5.0	kcal/mol	Review	Martinho Simões	The 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 compiled by: José A. Martinho Simões

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Individual Reactions

(solution) = C₅MoO₅ (solution) + (solution)

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	31.7 ± 1.4	kcal/mol	KinS	Graham and Angelici, 1967	solvent: 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).
Δ_rH°	30.21	kcal/mol	KinS	Werner and Prinz, 1966	solvent: 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.

(g) = C₅MoO₅ (g) + (g)

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	34.9 ± 5.0	kcal/mol	KinG	Ganske and Rosenfeld, 1990
Δ_rH°	40.5 ± 3.0	kcal/mol	LPHP	Lewis, Golden, et al., 1984	The 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)
Δ_rH°	30.21	kcal/mol	KinG	Cetini and Gambino, 1963	Please 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) + (solution)

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	8.70	kcal/mol	N/A	Morse, Parker, et al., 1989	solvent: 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) + (g)

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	8.0 ± 1.0	kcal/mol	KinG	Wells and Weitz, 1992	The 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) + (g)

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

Quantity	Value	Units	Method	Reference
Δ_rH°	29.49	kcal/mol	KinG	Rayner, Ishikawa, et al., 1991
Δ_rH°	27.0 ± 5.0	kcal/mol	KinG	Ganske and Rosenfeld, 1990
Δ_rH°	35. ± 15.	kcal/mol	MBPS	Venkataraman, Hou, et al., 1990

References

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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

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Symbols used in this document:

Δ_fH°_gas Enthalpy of formation of gas at standard conditions

Δ_rH° Enthalpy of reaction at standard conditions

Δ_rS° Entropy of reaction at standard conditions
Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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Δ_fH°_gas	Enthalpy of formation of gas at standard conditions
Δ_rH°	Enthalpy of reaction at standard conditions
Δ_rS°	Entropy of reaction at standard conditions