Tungsten hexacarbonyl
- Formula: C6O6W
- Molecular weight: 351.90
- 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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Condensed phase thermochemistry data
Go To: Top, Phase change data, Gas phase ion energetics data, Mass spectrum (electron ionization), References, Notes
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 |
Gas phase ion energetics 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 evaluated as indicated in comments:
HL - Edward P. Hunter and Sharon G. Lias
Data compiled as indicated in comments:
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Proton affinity (review) | 758.0 | kJ/mol | N/A | Hunter and Lias, 1998 | HL |
Quantity | Value | Units | Method | Reference | Comment |
Gas basicity | 733.4 | kJ/mol | N/A | Hunter and Lias, 1998 | HL |
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
8.0 | PE | Cooper, Green, et al., 1987 | LBLHLM |
8.2 | PE | Hubbard and Lichtenberger, 1982 | LBLHLM |
8.60 ± 0.02 | EI | Michels, Flesch, et al., 1980 | LLK |
8.242 ± 0.006 | PI | Lloyd and Schlag, 1969 | RDSH |
8.48 ± 0.05 | EI | Junk and Svec, 1968 | RDSH |
8.5 ± 0.1 | EI | Bidinosti and McIntyre, 1967 | RDSH |
8.56 ± 0.13 | EI | Winters and Kiser, 1965 | RDSH |
8.46 ± 0.02 | EI | Foffani, Pignataro, et al., 1965 | RDSH |
8.18 ± 0.03 | PI | Vilesov and Kurbatov, 1961 | RDSH |
8.59 | PE | Hubbard and Lichtenberger, 1982 | Vertical value; LBLHLM |
8.56 | PE | Head, Nixon, et al., 1975 | Vertical value; LLK |
8.30 ± 0.02 | PE | Higginson, Lloyd, et al., 1973 | Vertical value; LLK |
Appearance energy determinations
Mass spectrum (electron ionization)
Go To: Top, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics 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 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, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics 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]
Hunter and Lias, 1998
Hunter, E.P.; Lias, S.G.,
Evaluated Gas Phase Basicities and Proton Affinities of Molecules: An Update,
J. Phys. Chem. Ref. Data, 1998, 27, 3, 413-656, https://doi.org/10.1063/1.556018
. [all data]
Cooper, Green, et al., 1987
Cooper, G.; Green, J.C.; Payne, M.; Dobson, B.R.; Hillier, I.H.,
Photoelectron spectroscopy with variable photon energy: A study of the metal hexacarbonyls, M(CO)6, Where M = CR, MO, and W.,
J. Am. Chem. Soc., 1987, 109, 3836. [all data]
Hubbard and Lichtenberger, 1982
Hubbard, J.L.; Lichtenberger, D.L.,
Vibrational fine structure in the valence ionizations of transition-metal hexacarbonyls: New experimental indication of metal-to-carbonyl π bonding,
J. Am. Chem. Soc., 1982, 104, 2132. [all data]
Michels, Flesch, et al., 1980
Michels, G.D.; Flesch, G.D.; Svec, H.J.,
Comparative mass spectrometry of the group 6B hexacarbonyls and pentacarbonyl thiocarbonyls,
Inorg. Chem., 1980, 19, 479. [all data]
Lloyd and Schlag, 1969
Lloyd, D.R.; Schlag, E.W.,
Photoionization studies of metal carbonyls. I. Ionization potentials and the bonding in group VI metal hexacarbonyls and in mononuclear carbonyls and nitrosyl carbonyls of iron, cobalt, and nickel,
Inorg. Chem., 1969, 8, 2544. [all data]
Junk and Svec, 1968
Junk, G.A.; Svec, H.J.,
Energetics of the ionization and dissociation of Ni(CO)4, Fe(CO)5, Cr(CO)6, Mo(CO)6 and W(CO)6,
Z. Naturforsch., 1968, 23b, 1. [all data]
Bidinosti and McIntyre, 1967
Bidinosti, D.R.; McIntyre, N.S.,
Electron-impact study of some binary metal carbonyls,
Can. J. Chem., 1967, 45, 641. [all data]
Winters and Kiser, 1965
Winters, R.E.; Kiser, R.W.,
Mass spectrometric studies of chromium, molybdenum, and tungsten hexacarbonyls,
Inorg. Chem., 1965, 4, 157. [all data]
Foffani, Pignataro, et al., 1965
Foffani, A.; Pignataro, S.; Cantone, B.; Grasso, F.,
Mass spectra of metal hexacarbonyls,
Z. Physik. Chem. (Frankfurt), 1965, 45, 79. [all data]
Vilesov and Kurbatov, 1961
Vilesov, F.I.; Kurbatov, B.L.,
Photoionization of esters and metal carbonyis in the gaseous phase,
Dokl. Akad. Nauk SSSR, 1961, 140, 1364, In original 792. [all data]
Head, Nixon, et al., 1975
Head, R.A.; Nixon, J.F.; Sharp, G.J.; Clark, R.J.,
Photoelectron spectroscopic study of metal trifluorophosphine and hydridotrifluorophosphine complexes,
J. Chem. Soc. Dalton Trans., 1975, 2054. [all data]
Higginson, Lloyd, et al., 1973
Higginson, B.R.; Lloyd, D.R.; Burroughs, P.; Gibson, D.M.; Orchard, A.F.,
Photoelectron studies of metal carbonyls. Part 2. The valence region photoelectron spectra of the Group VIA hexacarbonyls,
J. Chem. Soc. Faraday Trans. 2, 1973, 1659. [all data]
Notes
Go To: Top, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics data, Mass spectrum (electron ionization), References
- Symbols used in this document:
AE Appearance energy ΔcH°solid Enthalpy of combustion of solid at standard conditions ΔfH°solid Enthalpy of formation of solid 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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