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Tungsten hexacarbonyl


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-877.4 ± 3.0kJ/molReviewMartinho Simões 
Deltafgas-884.9 ± 4.5kJ/molReviewMartinho Simões 
Deltafgas-882.9 ± 2.5kJ/molReviewMartinho Simões 
Deltafgas-883.9 ± 2.7kJ/molReviewMartinho SimõesSelected data. Average of the values in Barnes, Pilcher, et al., 1974
Deltafgas-884. ± 3.kJ/molReviewMartinho Simões 

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
Deltafsolid-953.8 ± 2.7kJ/molReviewMartinho Simões 
Deltafsolid-961.3 ± 4.3kJ/molReviewMartinho Simões 
Deltafsolid-959.3 ± 2.1kJ/molReviewMartinho Simões 
Deltafsolid-960.3 ± 2.4kJ/molReviewMartinho SimõesSelected data. Average of the values in Barnes, Pilcher, et al., 1974
Deltafsolid-960. ± 3.kJ/molReviewMartinho Simões 
Quantity Value Units Method Reference Comment
Deltacsolid-2242.7 ± 4.2kJ/molCC-SBBarnes, Pilcher, et al., 1974Please also see Pedley and Rylance, 1977 and Tel'noi and Rabinovich, 1977.
Deltacsolid-2250.2 ± 2.5kJ/molCC-SBCotton, Fischer, et al., 1956Please also see Pedley and Rylance, 1977, Cox and Pilcher, 1970, and Tel'noi and Rabinovich, 1977.

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 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

Tungsten hexacarbonyl (solution) = C5O5W (solution) + Carbon monoxide (solution)

By formula: C6O6W (solution) = C5O5W (solution) + CO (solution)

Quantity Value Units Method Reference Comment
Deltar166.9 ± 6.7kJ/molKinSGraham and Angelici, 1967solvent: Decalin; The reaction enthalpy and entropy were identified with the enthalpy and entropy of activation for the reaction of W(CO)6(solution) with PBu3(solution).; MS
Deltar163.2kJ/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 W(CO)6(solution) with a phosphine and an amine. The results were quoted from Graham and Angelici, 1967.; MS

Tungsten hexacarbonyl (g) = C5O5W (g) + Carbon monoxide (g)

By formula: C6O6W (g) = C5O5W (g) + CO (g)

Quantity Value Units Method Reference Comment
Deltar193. ± 13.kJ/molLPHPLewis, Golden, et al., 1984The reaction enthalpy at 298 K relies on an activation energy of 186.2 kJ/mol and assumes a negligible activation barrier for product recombination. The enthalpy of formation relies on -883.9 ± 2.7 kJ/mol for the enthalpy of formation of W(CO)6(g); MS
Deltar166.5kJ/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 W(CO)6(g) with CO(g) Cetini and Gambino, 1963. The results were quoted from Graham and Angelici, 1967.; MS

Tungsten hexacarbonyl (cr) = 6Carbon monoxide (g) + tungsten (cr)

By formula: C6O6W (cr) = 6CO (g) + W (cr)

Quantity Value Units Method Reference Comment
Deltar298.8 ± 4.7kJ/molTD-HFC, HAL-HFCAl-Takhin, Connor, et al., 1984The reaction enthalpy corresponds to the TD experiments and leads to -962.0 ± 4.8 kJ/mol for the enthalpy of formation. The value -960±3 was recommended by the authors Al-Takhin, Connor, et al., 1984. Other values for the enthalpy of sublimation have been reported: 73. ± 1. kJ/mol Adedeji, Brown, et al., 1975, 74.1 ± 4.2 kJ/mol Hieber and Romberg, 1935, 69.9 ± 4.2 kJ/mol Rezukhina and Shvyrev, 1952, and 78.9 ± 1.1 kJ/mol Daamen, Ernsting, et al., 1979 Boxhoorn, Ernsting, et al., 1980. See also Pilcher, Ware, et al., 1975; MS
Deltar296.1 ± 1.8kJ/molTD-HZCBarnes, Pilcher, et al., 1974Please also see Pedley and Rylance, 1977 and Tel'noi and Rabinovich, 1977.; MS

Tungsten hexacarbonyl (cr) + 1,3-Diazine (l) = C10H5NO5W (cr) + Carbon monoxide (g)

By formula: C6O6W (cr) + C4H4N2 (l) = C10H5NO5W (cr) + CO (g)

Quantity Value Units Method Reference Comment
Deltar34.6kJ/molN/ANakashima and Adamson, 1982The reaction enthalpy was calculated from the enthalpy of the reaction W(CO)6(solution) + py(solution) = W(CO)5(py)(solution) + CO(solution) in cyclohexane, 27.4 ± 2.9 kJ/mol, together with the enthalpies of solution of W(CO)6(cr), W(CO)5(py)(cr), and py(l), 35.7, 36.4, and 7.9 kJ/mol, respectively Nakashima and Adamson, 1982.; MS

C9H9N3O3W (cr) = 0.5Tungsten hexacarbonyl (g) + 0.5tungsten (cr) + 3Acetonitrile (g)

By formula: C9H9N3O3W (cr) = 0.5C6O6W (g) + 0.5W (cr) + 3C2H3N (g)

Quantity Value Units Method Reference Comment
Deltar195.kJ/molTD-HFCAdedeji, Connor, et al., 1978The value for the reaction enthalpy corresponds to the thermal decomposition experiments and leads to -415. kJ/mol for the enthalpy of formation of W(CO)3(MeCN)3(cr). The value -405.0±12.0 was recommended by the authors Adedeji, Connor, et al., 1978; MS

Tungsten hexacarbonyl (solution) + 1,3-Diazine (solution) = C10H5NO5W (solution) + Carbon monoxide (solution)

By formula: C6O6W (solution) + C4H4N2 (solution) = C10H5NO5W (solution) + CO (solution)

Quantity Value Units Method Reference Comment
Deltar27.4 ± 2.9kJ/molPCNakashima and Adamson, 1982solvent: Cyclohexane; MS
Deltar24.9 ± 2.9kJ/molPCNakashima and Adamson, 1982solvent: Benzene; MS
Deltar18.4 ± 0.4kJ/molPCNakashima and Adamson, 1982solvent: Tetrahydrofuran; MS

Tungsten hexacarbonyl (solution) + Heptane (solution) = C12H16O5W (solution) + Carbon monoxide (solution)

By formula: C6O6W (solution) + C7H16 (solution) = C12H16O5W (solution) + CO (solution)

Quantity Value Units Method Reference Comment
Deltar136.4 ± 1.7kJ/molPACMorse, Parker, et al., 1989solvent: Heptane; The reaction enthalpy relies on 0.72 for the quantum yield of CO dissociation; MS

Hydrogen anion + Tungsten hexacarbonyl = (Hydrogen anion bullet Tungsten hexacarbonyl)

By formula: H- + C6O6W = (H- bullet C6O6W)

Quantity Value Units Method Reference Comment
Deltar184. ± 17.kJ/molN/ALane and Squires, 1988gas phase; Hydride affinity between CH2=O and PhCH=O; B

C8H6N2O4W (cr) + 2Carbon monoxide (g) = Tungsten hexacarbonyl (g) + 2Acetonitrile (g)

By formula: C8H6N2O4W (cr) + 2CO (g) = C6O6W (g) + 2C2H3N (g)

Quantity Value Units Method Reference Comment
Deltar72.4 ± 3.8kJ/molDSCBleijerveld and Vrieze, 1976Please also see Bleyerveld, Höhle, et al., 1975.; MS

C9H9N3O3W (cr) + 3Carbon monoxide (g) = Tungsten hexacarbonyl (g) + 3Acetonitrile (g)

By formula: C9H9N3O3W (cr) + 3CO (g) = C6O6W (g) + 3C2H3N (g)

Quantity Value Units Method Reference Comment
Deltar72.8 ± 5.0kJ/molDSCBleijerveld and Vrieze, 1976Please also see Bleyerveld, Höhle, et al., 1975.; MS

C7H3NO5W (cr) + Carbon monoxide (g) = Tungsten hexacarbonyl (g) + Acetonitrile (g)

By formula: C7H3NO5W (cr) + CO (g) = C6O6W (g) + C2H3N (g)

Quantity Value Units Method Reference Comment
Deltar70.7 ± 2.5kJ/molDSCBleijerveld and Vrieze, 1976Please also see Bleyerveld, Höhle, et al., 1975.; MS

Tetrahydrofuran (solution) + Tungsten hexacarbonyl (solution) = C9H8O6W (solution) + Carbon monoxide (solution)

By formula: C4H8O (solution) + C6O6W (solution) = C9H8O6W (solution) + CO (solution)

Quantity Value Units Method Reference Comment
Deltar60.7 ± 4.2kJ/molPCNakashima and Adamson, 1982solvent: Tetrahydrofuran; MS

C10H5NO5W (cr) + Carbon monoxide (g) = Tungsten hexacarbonyl (g) + 1,3-Diazine (g)

By formula: C10H5NO5W (cr) + CO (g) = C6O6W (g) + C4H4N2 (g)

Quantity Value Units Method Reference Comment
Deltar83. ± 10.kJ/molDSCDaamen, van der Poel, et al., 1979Please also see Meester, Vriends, et al., 1976.; MS

Tungsten hexacarbonyl (solution) + Acetone (solution) = C8H6O6W (solution) + Carbon monoxide (solution)

By formula: C6O6W (solution) + C3H6O (solution) = C8H6O6W (solution) + CO (solution)

Quantity Value Units Method Reference Comment
Deltar74.9 ± 5.9kJ/molPCNakashima and Adamson, 1982solvent: Acetone; MS

Tungsten hexacarbonyl (cr) + 31,3-Diazine (g) = C18H15N3O3W (g) + 3Carbon monoxide (g)

By formula: C6O6W (cr) + 3C4H4N2 (g) = C18H15N3O3W (g) + 3CO (g)

Quantity Value Units Method Reference Comment
Deltar-54.7 ± 8.4kJ/molHFCAdedeji, Connor, et al., 1978MS

Tungsten hexacarbonyl (g) = C3O3W (g) + 3Carbon monoxide (g)

By formula: C6O6W (g) = C3O3W (g) + 3CO (g)

Quantity Value Units Method Reference Comment
Deltar464. ± 42.kJ/molMBPSVenkataraman, Hou, et al., 1990MS

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., J. Less-Common Met., 1974, 38, 53. [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]

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, 1197. [all data]

Al-Takhin, Connor, et al., 1984
Al-Takhin, G.; Connor, J.A.; Pilcher, G.; Skinner, H.A., J. Organomet. Chem., 1984, 265, 263. [all data]

Adedeji, Brown, et al., 1975
Adedeji, F.A.; Brown, D.L.S.; Connor, J.A.; Leung, M.; Paz-Andrade, I.M.; Skinner, H.A., J. Organometal. Chem., 1975, 97, 221. [all data]

Hieber and Romberg, 1935
Hieber, W.; Romberg, E., Z. Anorg. Allg. Chem., 1935, 221, 321. [all data]

Rezukhina and Shvyrev, 1952
Rezukhina, T.N.; Shvyrev, V.V., Vestn. Moskov. Univ., 1952, 7, 41. [all data]

Daamen, Ernsting, et al., 1979
Daamen, H.; Ernsting, J.M.; Oskam, A., Thermochim. Acta, 1979, 33, 217. [all data]

Boxhoorn, Ernsting, et al., 1980
Boxhoorn, G.; Ernsting, J.M.; Stufkens, D.J.; Oskam, A., Thermochim. Acta, 1980, 42, 315. [all data]

Pilcher, Ware, et al., 1975
Pilcher, G.; Ware, M.J.; Pittam, D.A., J. Less-Common Met., 1975, 42, 223. [all data]

Nakashima and Adamson, 1982
Nakashima, M.; Adamson, A.W., J. Phys. Chem., 1982, 86, 2905. [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]

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

Bleijerveld and Vrieze, 1976
Bleijerveld, R.H.T.; Vrieze, K., Inorg. Chim. Acta, 1976, 19, 195. [all data]

Bleyerveld, Höhle, et al., 1975
Bleyerveld, R.H.T.; Höhle, Th.; Vrieze, K., J. Organometal. Chem., 1975, 281, 284. [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]

Meester, Vriends, et al., 1976
Meester, M.A.M.; Vriends, R.C.J.; Stufkens, D.J.; Vrieze, K., Inorg. Chim. Acta, 1976, 19, 95. [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