Molybdenum hexacarbonyl
- Formula: C6MoO6
- Molecular weight: 264.02
- IUPAC Standard InChI: InChI=1S/6CO.Mo/c6*1-2;
- IUPAC Standard InChIKey: KMKBZNSIJQWHJA-UHFFFAOYSA-N
- CAS Registry Number: 13939-06-5
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Other names: Molybdenum carbonyl (Mo(CO)6), (OC-6-11)-; Molybdenum carbonyl (Mo(CO)6); Hexacarbonyl molybdenum; Mo(CO)6; Molybdenum carbonyl
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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 |
|---|---|---|---|---|---|
| ΔfH°gas | -908.5 ± 2.9 | kJ/mol | Review | Martinho Simões | |
| ΔfH°gas | -886.5 ± 4.4 | kJ/mol | Review | Martinho Simões | |
| ΔfH°gas | -916.1 ± 4.4 | kJ/mol | Review | Martinho Simões | |
| ΔfH°gas | -915.3 ± 2.1 | kJ/mol | Review | Martinho Simões | Selected data. |
Condensed 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 |
|---|---|---|---|---|---|
| ΔfH°solid | -982.3 ± 2.7 | kJ/mol | Review | Martinho Simões | |
| ΔfH°solid | -960.3 ± 4.3 | kJ/mol | Review | Martinho Simões | |
| ΔfH°solid | -989.9 ± 4.3 | kJ/mol | Review | Martinho Simões | |
| ΔfH°solid | -989.1 ± 1.8 | kJ/mol | Review | Martinho Simões | Selected data. |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔcH°solid | -2115.8 ± 4.2 | kJ/mol | CC-SB | Barnes, Pilcher, et al., 1974 | Please also see Pedley and Rylance, 1977 and Tel'noi and Rabinovich, 1977. |
| ΔcH°solid | -2123.4 ± 2.5 | kJ/mol | CC-SB | Cotton, Fischer, et al., 1956 | Please also see Pedley and Rylance, 1977, Cox and Pilcher, 1970, and Tel'noi and Rabinovich, 1977. |
Reaction thermochemistry data
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled as indicated in comments:
MS - José A. Martinho Simões
B - John E. Bartmess
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
(solution) = C5MoO5 (solution) +
(solution)
By formula: C6MoO6 (solution) = C5MoO5 (solution) + CO (solution)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 132.6 ± 5.9 | kJ/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).; MS |
| ΔrH° | 126.4 | kJ/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.; MS |
(g) = C5MoO5 (g) +
(g)
By formula: C6MoO6 (g) = C5MoO5 (g) + CO (g)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 146. ± 21. | kJ/mol | KinG | Ganske and Rosenfeld, 1990 | MS |
| ΔrH° | 170. ± 13. | kJ/mol | LPHP | Lewis, Golden, et al., 1984 | The reaction enthalpy at 298 K relies on an activation energy of 163.2 kJ/mol and assumes a negligible activation barrier for product recombination. The enthalpy of formation relies on -915.3 ± 2.1 kJ/mol for the enthalpy of formation of Mo(CO)6(g); MS |
| ΔrH° | 126.4 | kJ/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.; MS |
(solution) +
(solution) = C12H16MoO5 (solution) +
(solution)
By formula: C6MoO6 (solution) + C7H16 (solution) = C12H16MoO5 (solution) + CO (solution)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 135. ± 12. | kJ/mol | PAC | Johnson, Popov, et al., 1991 | solvent: Heptane; The reaction enthalpy relies on 0.67 for the quantum yield of CO dissociation.; MS |
| ΔrH° | 133.1 ± 5.4 | kJ/mol | PAC | Morse, Parker, et al., 1989 | solvent: Heptane; The reaction enthalpy relies on 0.67 for the quantum yield of CO dissociation; MS |
(cr) = 6
(g) +
(cr)
By formula: C6MoO6 (cr) = 6CO (g) + Mo (cr)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 325.9 ± 1.5 | kJ/mol | TD-HZC | Barnes, Pilcher, et al., 1974 | Please also see Pedley and Rylance, 1977 and Tel'noi and Rabinovich, 1977.; MS |
| ΔrH° | 297.1 ± 4.2 | kJ/mol | TD-HFC | Connor, Skinner, et al., 1972 | Please also see Pedley and Rylance, 1977 and Tel'noi and Rabinovich, 1977.; MS |
+
= (
•
)
By formula: H- + C6MoO6 = (H- • C6MoO6)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 184. ± 17. | kJ/mol | N/A | Lane and Squires, 1988 | gas phase; Hydride affinity between CH2=O and PhCH=O; B |
(cr) + 3
(g) = C18H15MoN3O3 (cr) + 3
(g)
By formula: C6MoO6 (cr) + 3C4H4N2 (g) = C18H15MoN3O3 (cr) + 3CO (g)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | -50.4 ± 7.0 | kJ/mol | HFC | Adedeji, Connor, et al., 1978 | MS |
C10H5MoNO5 (cr) + (g) =
(g) +
(g)
By formula: C10H5MoNO5 (cr) + CO (g) = C6MoO6 (g) + C4H4N2 (g)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 57. ± 3. | kJ/mol | DSC | Daamen, van der Poel, et al., 1979 | MS |
(g) = C3MoO3 (g) + 3
(g)
By formula: C6MoO6 (g) = C3MoO3 (g) + 3CO (g)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 439. ± 42. | kJ/mol | MBPS | Venkataraman, Hou, et al., 1990 | MS |
References
Go To: Top, Gas phase thermochemistry data, Condensed 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]
Barnes, Pilcher, et al., 1974
Barnes, D.S.; Pilcher, G.; Pittam, D.A.; Skinner, H.A.; Todd, D.; Virmani, Y.,
J. Less-Common Met., 1974, 36, 177. [all data]
Pedley and Rylance, 1977
Pedley, J.B.; Rylance, J.,
Computer Analysed Thermochemical Data: Organic and Organometallic Compounds, University of Sussex, Brigton, 1977. [all data]
Tel'noi and Rabinovich, 1977
Tel'noi, V.I.; Rabinovich, I.B.,
Russ. Chem. Rev., 1977, 46, 689. [all data]
Cotton, Fischer, et al., 1956
Cotton, F.A.; Fischer, A.K.; Wilkinson. G.,
J. Am. Chem. Soc., 1956, 78, 5168. [all data]
Cox and Pilcher, 1970
Cox, J.D.; Pilcher, G.,
Thermochemistry of Organic and Organometallic Compounds
in Academic Press, New York, 1970. [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]
Johnson, Popov, et al., 1991
Johnson, F.P.A.; Popov, V.K.; George, M.W.; Bagratashvili, V.N.; Poliakoff, M.; Turner, J.J.,
Mendeleev Commun., 1991, 145.. [all data]
Morse, Parker, et al., 1989
Morse, J.M., Jr.; Parker, G.H.; Burkey, T.J.,
Organometallics, 1989, 8, 2471. [all data]
Connor, Skinner, et al., 1972
Connor, J.A.; Skinner, H.A.; Virmani, Y.,
Microcalorimetric studies. Thermal decomposition and iodination of metal carbonyls,
J. Chem. Soc., Faraday Trans. 1, 1972, 68, 0, 1754, https://doi.org/10.1039/f19726801754
. [all data]
Lane and Squires, 1988
Lane, K.R.; Squires, R.R.,
Hydride Transfer to Transition Metal Carbonyls in the Gas Phase. Formation and Relative Stabilities of Anionic Formyl Complexes,
Polyhedron, 1988, 7, 16-17, 1609, https://doi.org/10.1016/S0277-5387(00)81786-6
. [all data]
Adedeji, Connor, et al., 1978
Adedeji, F.A.; Connor, J.A.; Demain, C.P.; Martinho Simões, J.A.; Skinner, H.A.; Zafarani- Moattar, M.T.,
J. Organometal. Chem., 1978, 149, 333. [all data]
Daamen, van der Poel, et al., 1979
Daamen, H.; van der Poel, H.; Stufkens, D.J.; Oskam, A.,
Thermochim. Acta, 1979, 34, 69. [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, Condensed phase thermochemistry data, Reaction thermochemistry data, References
- Symbols used in this document:
ΔcH°solid Enthalpy of combustion of solid at standard conditions ΔfH°gas Enthalpy of formation of gas at standard conditions ΔfH°solid Enthalpy of formation of solid at standard conditions ΔrH° Enthalpy of reaction at standard conditions ΔrS° Entropy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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