Tungsten hexacarbonyl
- Formula: C6O6W
- Molecular weight: 351.90
- IUPAC Standard InChI: InChI=1S/6CO.W/c6*1-2;
- IUPAC Standard InChIKey: FQNHWXHRAUXLFU-UHFFFAOYSA-N
- CAS Registry Number: 14040-11-0
- 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: Tungsten carbonyl (W(CO)6), (OC-6-11)-; Hexacarbonyltungsten; Tungsten carbonyl; W(CO)6; Tungsten carbonyl (W(CO)6)
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- Other data available:
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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 | -877.4 ± 3.0 | kJ/mol | Review | Martinho Simões | |
| ΔfH°gas | -884.9 ± 4.5 | kJ/mol | Review | Martinho Simões | |
| ΔfH°gas | -882.9 ± 2.5 | kJ/mol | Review | Martinho Simões | |
| ΔfH°gas | -883.9 ± 2.7 | kJ/mol | Review | Martinho Simões | Selected data. Average of the values in Barnes, Pilcher, et al., 1974 |
| ΔfH°gas | -884. ± 3. | kJ/mol | Review | Martinho 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 |
|---|---|---|---|---|---|
| ΔfH°solid | -953.8 ± 2.7 | kJ/mol | Review | Martinho Simões | |
| ΔfH°solid | -961.3 ± 4.3 | kJ/mol | Review | Martinho Simões | |
| ΔfH°solid | -959.3 ± 2.1 | kJ/mol | Review | Martinho Simões | |
| ΔfH°solid | -960.3 ± 2.4 | kJ/mol | Review | Martinho Simões | Selected data. Average of the values in Barnes, Pilcher, et al., 1974 |
| ΔfH°solid | -960. ± 3. | kJ/mol | Review | Martinho Simões | |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔcH°solid | -2242.7 ± 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 | -2250.2 ± 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. |
Phase change 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:
AC - William E. Acree, Jr., James S. Chickos
MS - José A. Martinho Simões
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔsubH° | 73.2 | kJ/mol | C | Adedeji, Lalage, et al., 1975 | AC |
| ΔsubH° | 76.4 ± 1.3 | kJ/mol | CC-SB | Pilcher, Ware, et al., 1975 | 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 |
Enthalpy of sublimation
| ΔsubH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 77.7 | 276. | TE | Garner, Chandra, et al., 1995 | Based on data from 265. to 288. K.; AC |
| 74.9 ± 1.3 | 338. to 423. | N/A | Baev, 1993 | AC |
| 74.4 | 348. | A | Stephenson and Malanowski, 1987 | Based on data from 333. to 433. K.; AC |
| 78.9 ± 1.1 | 271. | ME | Boxhoorn, Ernsting, et al., 1980, 2 | Based on data from 250. to 292. K. See also Daamen, Ernsting, et al., 1979, 2.; AC |
| 69.7 | 339. to 410. | N/A | Rezukhina and Shvyrev, 1952 | AC |
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
(solution) = C5O5W (solution) +
(solution)
By formula: C6O6W (solution) = C5O5W (solution) + CO (solution)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 166.9 ± 6.7 | 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 W(CO)6(solution) with PBu3(solution).; MS |
| ΔrH° | 163.2 | 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 W(CO)6(solution) with a phosphine and an amine. The results were quoted from Graham and Angelici, 1967.; MS |
(g) = C5O5W (g) +
(g)
By formula: C6O6W (g) = C5O5W (g) + CO (g)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 193. ± 13. | kJ/mol | LPHP | Lewis, Golden, et al., 1984 | The 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 |
| ΔrH° | 166.5 | 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 W(CO)6(g) with CO(g) Cetini and Gambino, 1963. The results were quoted from Graham and Angelici, 1967.; MS |
(cr) = 6
(g) +
(cr)
By formula: C6O6W (cr) = 6CO (g) + W (cr)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 298.8 ± 4.7 | kJ/mol | TD-HFC, HAL-HFC | Al-Takhin, Connor, et al., 1984 | The 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 |
| ΔrH° | 296.1 ± 1.8 | kJ/mol | TD-HZC | Barnes, Pilcher, et al., 1974 | Please also see Pedley and Rylance, 1977 and Tel'noi and Rabinovich, 1977.; MS |
(cr) +
(l) = C10H5NO5W (cr) +
(g)
By formula: C6O6W (cr) + C4H4N2 (l) = C10H5NO5W (cr) + CO (g)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 34.6 | kJ/mol | N/A | Nakashima and Adamson, 1982 | The 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) = 0.5 (g) + 0.5
(cr) + 3
(g)
By formula: C9H9N3O3W (cr) = 0.5C6O6W (g) + 0.5W (cr) + 3C2H3N (g)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 195. | kJ/mol | TD-HFC | Adedeji, Connor, et al., 1978 | The 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 |
(solution) +
(solution) = C10H5NO5W (solution) +
(solution)
By formula: C6O6W (solution) + C4H4N2 (solution) = C10H5NO5W (solution) + CO (solution)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 27.4 ± 2.9 | kJ/mol | PC | Nakashima and Adamson, 1982 | solvent: Cyclohexane; MS |
| ΔrH° | 24.9 ± 2.9 | kJ/mol | PC | Nakashima and Adamson, 1982 | solvent: Benzene; MS |
| ΔrH° | 18.4 ± 0.4 | kJ/mol | PC | Nakashima and Adamson, 1982 | solvent: Tetrahydrofuran; MS |
(solution) +
(solution) = C12H16O5W (solution) +
(solution)
By formula: C6O6W (solution) + C7H16 (solution) = C12H16O5W (solution) + CO (solution)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 136.4 ± 1.7 | kJ/mol | PAC | Morse, Parker, et al., 1989 | solvent: Heptane; The reaction enthalpy relies on 0.72 for the quantum yield of CO dissociation; MS |
+
= (
•
)
By formula: H- + C6O6W = (H- • C6O6W)
| 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 |
C8H6N2O4W (cr) + 2 (g) =
(g) + 2
(g)
By formula: C8H6N2O4W (cr) + 2CO (g) = C6O6W (g) + 2C2H3N (g)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 72.4 ± 3.8 | kJ/mol | DSC | Bleijerveld and Vrieze, 1976 | Please also see Bleyerveld, Höhle, et al., 1975.; MS |
C9H9N3O3W (cr) + 3 (g) =
(g) + 3
(g)
By formula: C9H9N3O3W (cr) + 3CO (g) = C6O6W (g) + 3C2H3N (g)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 72.8 ± 5.0 | kJ/mol | DSC | Bleijerveld and Vrieze, 1976 | Please also see Bleyerveld, Höhle, et al., 1975.; MS |
C7H3NO5W (cr) + (g) =
(g) +
(g)
By formula: C7H3NO5W (cr) + CO (g) = C6O6W (g) + C2H3N (g)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 70.7 ± 2.5 | kJ/mol | DSC | Bleijerveld and Vrieze, 1976 | Please also see Bleyerveld, Höhle, et al., 1975.; MS |
(solution) +
(solution) = C9H8O6W (solution) +
(solution)
By formula: C4H8O (solution) + C6O6W (solution) = C9H8O6W (solution) + CO (solution)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 60.7 ± 4.2 | kJ/mol | PC | Nakashima and Adamson, 1982 | solvent: Tetrahydrofuran; MS |
C10H5NO5W (cr) + (g) =
(g) +
(g)
By formula: C10H5NO5W (cr) + CO (g) = C6O6W (g) + C4H4N2 (g)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 83. ± 10. | kJ/mol | DSC | Daamen, van der Poel, et al., 1979 | Please also see Meester, Vriends, et al., 1976.; MS |
(solution) +
(solution) = C8H6O6W (solution) +
(solution)
By formula: C6O6W (solution) + C3H6O (solution) = C8H6O6W (solution) + CO (solution)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 74.9 ± 5.9 | kJ/mol | PC | Nakashima and Adamson, 1982 | solvent: Acetone; MS |
(cr) + 3
(g) = C18H15N3O3W (g) + 3
(g)
By formula: C6O6W (cr) + 3C4H4N2 (g) = C18H15N3O3W (g) + 3CO (g)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | -54.7 ± 8.4 | kJ/mol | HFC | Adedeji, Connor, et al., 1978 | MS |
(g) = C3O3W (g) + 3
(g)
By formula: C6O6W (g) = C3O3W (g) + 3CO (g)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 464. ± 42. | kJ/mol | MBPS | Venkataraman, Hou, et al., 1990 | MS |
Mass spectrum (electron ionization)
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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: NIST Mass Spectrometry Data Center, William E. Wallace, director
Spectrum
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Additional Data
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| Owner | NIST Mass Spectrometry Data Center Collection (C) 2014 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
|---|---|
| Origin | D.HENNEBERG, MAX-PLANCK INSTITUTE, MULHEIM, WEST GERMANY |
| NIST MS number | 62145 |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Mass spectrum (electron ionization), 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]
Adedeji, Lalage, et al., 1975
Adedeji, Festus A.; Lalage, D.; Brown, S.; Connor, Joseph A.; Leung, May L.; Paz-Andrade, I. Maria; Skinner, Henry A.,
Thermochemistry of arene chromium tricarbonyls and the strenghts of arene-chromium bonds,
Journal of Organometallic Chemistry, 1975, 97, 2, 221-228, https://doi.org/10.1016/S0022-328X(00)89468-1
. [all data]
Pilcher, Ware, et al., 1975
Pilcher, G.; Ware, M.J.; Pittam, D.A.,
J. Less-Common Met., 1975, 42, 223. [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]
Garner, Chandra, et al., 1995
Garner, M.L.; Chandra, D.; Lau, K.H.,
Low-temperature vapor pressures of W-, Cr-, and Co-carbonyls,
JPE, 1995, 16, 1, 24-29, https://doi.org/10.1007/BF02646245
. [all data]
Baev, 1993
Baev, A.K.,
Thermodynamic properties of the mixtures of chromium and tungsten hexacarbonyls,
Zh. Fiz. Khim., 1993, 67, 12, 2399. [all data]
Stephenson and Malanowski, 1987
Stephenson, Richard M.; Malanowski, Stanislaw,
Handbook of the Thermodynamics of Organic Compounds, 1987, https://doi.org/10.1007/978-94-009-3173-2
. [all data]
Boxhoorn, Ernsting, et al., 1980, 2
Boxhoorn, G.; Ernsting, J.M.; Stufkens, D.J.; Oskam, A.,
Vapour pressure measurements on M(CO)5L complexes (M «58875» Cr, W; L «58875» CO, P(OØ)3, PØ3, PMe3, NMe3 and pyridazine),
Thermochimica Acta, 1980, 42, 3, 315-321, https://doi.org/10.1016/0040-6031(80)85092-1
. [all data]
Daamen, Ernsting, et al., 1979, 2
Daamen, H.; Ernsting, J.M.; Oskam, A.,
Vapour pressure measurements on M(CO)5L (M = Cr, Mo, W; L = piperidine, pyridine, pyrazine, pyrazole, thiazole),
Thermochimica Acta, 1979, 33, 217-223, https://doi.org/10.1016/0040-6031(79)87044-6
. [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]
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, Phase change data, Reaction thermochemistry data, Mass spectrum (electron ionization), 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 ΔsubH Enthalpy of sublimation ΔsubH° Enthalpy of sublimation at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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