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:
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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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Gas phase thermochemistry data

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Data compiled by: José A. Martinho Simões

Quantity	Value	Units	Method	Reference	Comment
Δ_fH°_gas	-877.4 ± 3.0	kJ/mol	Review	Martinho Simões
Δ_fH°_gas	-884.9 ± 4.5	kJ/mol	Review	Martinho Simões
Δ_fH°_gas	-882.9 ± 2.5	kJ/mol	Review	Martinho Simões
Δ_fH°_gas	-883.9 ± 2.7	kJ/mol	Review	Martinho Simões	Selected data. Average of the values in Barnes, Pilcher, et al., 1974
Δ_fH°_gas	-884. ± 3.	kJ/mol	Review	Martinho Simões

Condensed phase thermochemistry data

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Data compiled by: José A. Martinho Simões

Quantity	Value	Units	Method	Reference	Comment
Δ_fH°_solid	-953.8 ± 2.7	kJ/mol	Review	Martinho Simões
Δ_fH°_solid	-961.3 ± 4.3	kJ/mol	Review	Martinho Simões
Δ_fH°_solid	-959.3 ± 2.1	kJ/mol	Review	Martinho Simões
Δ_fH°_solid	-960.3 ± 2.4	kJ/mol	Review	Martinho Simões	Selected data. Average of the values in Barnes, Pilcher, et al., 1974
Δ_fH°_solid	-960. ± 3.	kJ/mol	Review	Martinho Simões
Quantity	Value	Units	Method	Reference	Comment
Δ_cH°_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.
Δ_cH°_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.

Reaction thermochemistry data

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Data compiled as indicated in comments:
MS - José A. Martinho Simões
B - John E. Bartmess

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Individual Reactions

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

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	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
Δ_rH°	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

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

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	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
Δ_rH°	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

Tungsten hexacarbonyl (cr) = 6 (g) + (cr)

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	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
Δ_rH°	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

Tungsten hexacarbonyl (cr) + (l) = C₁₀H₅NO₅W (cr) + (g)

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	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 Tungsten hexacarbonyl (g) + 0.5 (cr) + 3 (g)

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	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

Tungsten hexacarbonyl (solution) + (solution) = C₁₀H₅NO₅W (solution) + (solution)

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	27.4 ± 2.9	kJ/mol	PC	Nakashima and Adamson, 1982	solvent: Cyclohexane; MS
Δ_rH°	24.9 ± 2.9	kJ/mol	PC	Nakashima and Adamson, 1982	solvent: Benzene; MS
Δ_rH°	18.4 ± 0.4	kJ/mol	PC	Nakashima and Adamson, 1982	solvent: Tetrahydrofuran; MS

Tungsten hexacarbonyl (solution) + (solution) = C₁₂H₁₆O₅W (solution) + (solution)

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	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

+ Tungsten hexacarbonyl = ( • )

By formula: H^- + C₆O₆W = (H^- • C₆O₆W)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	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) = Tungsten hexacarbonyl (g) + 2 (g)

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	72.4 ± 3.8	kJ/mol	DSC	Bleijerveld and Vrieze, 1976	Please also see Bleyerveld, Höhle, et al., 1975.; MS

C₉H₉N₃O₃W (cr) + 3 (g) = Tungsten hexacarbonyl (g) + 3 (g)

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	72.8 ± 5.0	kJ/mol	DSC	Bleijerveld and Vrieze, 1976	Please also see Bleyerveld, Höhle, et al., 1975.; MS

C₇H₃NO₅W (cr) + (g) = Tungsten hexacarbonyl (g) + (g)

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	70.7 ± 2.5	kJ/mol	DSC	Bleijerveld and Vrieze, 1976	Please also see Bleyerveld, Höhle, et al., 1975.; MS

(solution) + Tungsten hexacarbonyl (solution) = C₉H₈O₆W (solution) + (solution)

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	60.7 ± 4.2	kJ/mol	PC	Nakashima and Adamson, 1982	solvent: Tetrahydrofuran; MS

C₁₀H₅NO₅W (cr) + (g) = Tungsten hexacarbonyl (g) + (g)

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	83. ± 10.	kJ/mol	DSC	Daamen, van der Poel, et al., 1979	Please also see Meester, Vriends, et al., 1976.; MS

Tungsten hexacarbonyl (solution) + (solution) = C₈H₆O₆W (solution) + (solution)

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	74.9 ± 5.9	kJ/mol	PC	Nakashima and Adamson, 1982	solvent: Acetone; MS

Tungsten hexacarbonyl (cr) + 3 (g) = C₁₈H₁₅N₃O₃W (g) + 3 (g)

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	-54.7 ± 8.4	kJ/mol	HFC	Adedeji, Connor, et al., 1978	MS

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

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	464. ± 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

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

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Symbols used in this document:

Δ_cH°_solid	Enthalpy of combustion of solid at standard conditions
Δ_fH°_gas	Enthalpy of formation of gas at standard conditions
Δ_fH°_solid	Enthalpy of formation of solid 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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