Chromium 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
Δfgas-910. ± 80.kJ/molAVGN/AAverage of 9 values; Individual data points

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
Δfsolid-980. ± 80.kJ/molAVGN/AAverage of 9 values; Individual data points
Quantity Value Units Method Reference Comment
Δcsolid-1932. ± 17.kJ/molCC-SBPittam, Pilcher, et al., 1975Please also see Pedley and Rylance, 1977 and Tel'noi and Rabinovich, 1977.
Δcsolid-1949.4 ± 1.8kJ/molCC-SBShuman, Chernova, et al., 1974Please also see Pedley and Rylance, 1977 and Tel'noi and Rabinovich, 1977.
Δcsolid-1853.9 ± 4.2kJ/molCC-SBCotton, Fischer, et al., 1956Please 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
Δsub69. ± 2.kJ/molN/AAl-Takhin, Connor, et al., 1984AC
Δsub72.0 ± 4.2kJ/molN/APilcher and Skinner, 1983See also Pittam, Pilcher, et al., 1975, 2.; AC
Δsub70. ± 2.kJ/molCRibeiro Da Silva and Reis, 1983AC
Δsub71.6 ± 1.7kJ/molCC-SBDaamen, Ernsting, et al., 1979Please also see Boxhoorn, Ernsting, et al., 1980. Other values for the enthalpy of sublimation have been reported: 72.0 ± 4.2 kJ/mol Hieber and Romberg, 1935 Pilcher, Ware, et al., 1975, 69. ± 2. kJ/mol Al-Takhin, Connor, et al., 1984, 2 and 69.5 ± 4.2 kJ/mol Rezukhina and Shvyrev, 1952; MS
Δsub69.5kJ/molCAdedeji, Lalage, et al., 1975AC

Enthalpy of vaporization

ΔvapH (kJ/mol) Temperature (K) Reference Comment
62.5324.Stull, 1947Based on data from 309. to 424. K.; AC

Antoine Equation Parameters

log10(P) = A − (B / (T + C))
    P = vapor pressure (bar)
    T = temperature (K)

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Temperature (K) A B C Reference Comment
309. to 424.7.881183391.7436.153Stull, 1947Coefficents calculated by NIST from author's data.

Enthalpy of sublimation

ΔsubH (kJ/mol) Temperature (K) Method Reference Comment
63.3328.GSPankajavalli, Mallika, et al., 2002Based on data from 309. to 347. K.; AC
65.7269.TEGarner, Chandra, et al., 1995Based on data from 266. to 272. K.; AC
68.5 ± 1.1323. to 391.N/ABaev, 1993AC
68.5355.5AStephenson and Malanowski, 1987Based on data from 288. to 423. K.; AC
71.6 ± 1.7260.MEBoxhoorn, Ernsting, et al., 1980, 2Based on data from 240. to 280. K. See also Daamen, Ernsting, et al., 1979, 2.; AC
71.5 ± 0.8288.BGBoni, 1966Based on data from 274. to 301. K.; AC
69.3319. to 411.N/ARezukhina and Shvyrev, 1952AC
63.6358.MMWindsor and Blanchard, 1934Based on data from 308. to 408. K.; 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)739.2kJ/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity714.6kJ/molN/AHunter and Lias, 1998HL

Ionization energy determinations

IE (eV) Method Reference Comment
8.2PECooper, Green, et al., 1987LBLHLM
8.24 ± 0.07PIPECODas, Nishimura, et al., 1985LBLHLM
8.1PEHubbard and Lichtenberger, 1982LBLHLM
8.42 ± 0.03EIMichels, Flesch, et al., 1980LLK
8.30 ± 0.05EIPaetzold and Abd-el-Mottaleb, 1975LLK
8.20EIMuller, Fenderl, et al., 1971LLK
8.2 ± 0.1EIFischer, Kreiter, et al., 1971LLK
8.142 ± 0.017PILloyd and Schlag, 1969RDSH
8.40PEHubbard and Lichtenberger, 1982Vertical value; LBLHLM
8.40PEEnglish, Plowman, et al., 1979Vertical value; LLK
8.41PEBlock and Fenske, 1977Vertical value; LLK
8.40PEHead, Nixon, et al., 1975Vertical value; LLK
8.40 ± 0.02PEHigginson, Lloyd, et al., 1973Vertical value; LLK
8.40PECaulton and Fenske, 1968Vertical value; Unpublished result of W.C. Price; RDSH

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
CrC+23.2 ± 0.3?EIBidinosti and McIntyre, 1967RDSH
CCrO+12.80 ± 0.105COPIPECODas, Nishimura, et al., 1985LBLHLM
CCrO+14.03 ± 0.045COEIMichels, Flesch, et al., 1980LLK
CrCO+14.125COEIJunk and Svec, 1968RDSH
CrCO+13.6 ± 0.25COEIBidinosti and McIntyre, 1967RDSH
CrCO+14.9 ± 0.25COEIWinters and Kiser, 1965RDSH
CrCO+13.3 ± 0.25COEIFoffani, Pignataro, et al., 1965RDSH
C2CrO2+11.44 ± 0.134COPIPECODas, Nishimura, et al., 1985LBLHLM
C2CrO2+12.51 ± 0.044COEIMichels, Flesch, et al., 1980LLK
CrC2O2+12.564COEIJunk and Svec, 1968RDSH
CrC2O2+11.9 ± 0.14COEIBidinosti and McIntyre, 1967RDSH
CrC2O2+13.1 ± 0.24COEIWinters and Kiser, 1965RDSH
CrC2O2+11.6 ± 0.24COEIFoffani, Pignataro, et al., 1965RDSH
C3CrO3+10.78 ± 0.143COPIPECODas, Nishimura, et al., 1985LBLHLM
C3CrO3+11.35 ± 0.033COEIMichels, Flesch, et al., 1980LLK
CrC3O3+~10.423COEIJunk and Svec, 1968RDSH
CrC3O3+11.1 ± 0.23COEIBidinosti and McIntyre, 1967RDSH
CrC3O3+10.62 ± 0.153COEIFoffani, Pignataro, et al., 1965RDSH
C4CrO4+9.95 ± 0.102COPIPECODas, Nishimura, et al., 1985LBLHLM
C4CrO4+10.45 ± 0.032COEIMichels, Flesch, et al., 1980LLK
CrC4O4+~9.522COEIJunk and Svec, 1968RDSH
CrC4O4+9.6 ± 0.12COEIBidinosti and McIntyre, 1967RDSH
CrC4O4+9.97 ± 0.042COEIFoffani, Pignataro, et al., 1965RDSH
C5CrO5+9.73 ± 0.24COPIPECODas, Nishimura, et al., 1985LBLHLM
C5CrO5+9.85 ± 0.03COEIMichels, Flesch, et al., 1980LLK
CrC5O5+~9.32COEIJunk and Svec, 1968RDSH
CrC5O5+9.0 ± 0.1COEIBidinosti and McIntyre, 1967RDSH
CrC5O5+9.17 ± 0.04COEIFoffani, Pignataro, et al., 1965RDSH
Cr+14.13 ± 0.116COPIPECODas, Nishimura, et al., 1985LBLHLM
Cr+15.36 ± 0.036COEIMichels, Flesch, et al., 1980LLK
Cr+17.076COEIJunk and Svec, 1968RDSH
Cr+15.1 ± 0.26COEIBidinosti and McIntyre, 1967RDSH
Cr+17.7 ± 0.36COEIWinters and Kiser, 1965RDSH
Cr+14.7 ± 0.16COEIFoffani, Pignataro, et al., 1965RDSH
CrO+23.5 ± 0.3?EIBidinosti and McIntyre, 1967RDSH

References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics data, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Pittam, Pilcher, et al., 1975
Pittam, D.A.; Pilcher, G.; Barnes, D.S.; Skinner, H.A.; Todd, D., J. Less-Common Met., 1975, 42, 217. [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]

Shuman, Chernova, et al., 1974
Shuman, M.S.; Chernova, V.I.; Zakharov, V.V.; Rabinovich, I.B., Trudy Khim. Khim. Tekhnol., Gorky, 1974, 1, 78. [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]

Al-Takhin, Connor, et al., 1984
Al-Takhin, Ghassan; Connor, Joseph A.; Skinner, Henry A.; Zafarani-Moattar, Mohamed T., Thermochemistry of arenetricarbonylchromium complexes containing toluene, anisole, N,N-dimethylaninine, acetophenone and methylbenzoate, Journal of Organometallic Chemistry, 1984, 260, 2, 189-197, https://doi.org/10.1016/S0022-328X(00)98694-7 . [all data]

Pilcher and Skinner, 1983
Pilcher, G.; Skinner, H.A., Thermochemistry of organometallic compounds, 1983, 43-90, https://doi.org/10.1002/9780470771686.ch2 . [all data]

Pittam, Pilcher, et al., 1975, 2
Pittam, D.A.; Pilcher, G.; Barnes, D.S.; Skinner, H.A.; Todd, D., The enthalpy of formation of chromium hexacarbonyl, Journal of the Less Common Metals, 1975, 42, 2, 217-222, https://doi.org/10.1016/0022-5088(75)90007-7 . [all data]

Ribeiro Da Silva and Reis, 1983
Ribeiro Da Silva, Manuel A.V.; Reis, Ana Maria M.V., The standard molar enthalpies of formation of bis(benzoylacetonato)-beryllium(II) and tris(benzoylacetonato)-aluminium(III) and the mean molar metal-oxygen bond-dissociation enthalpies, The Journal of Chemical Thermodynamics, 1983, 15, 10, 957-963, https://doi.org/10.1016/0021-9614(83)90129-5 . [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]

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

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

Al-Takhin, Connor, et al., 1984, 2
Al-Takhin, G.; Connor, J.A.; Skinner, H.A.; Zaharani-Moettar, M.T., J. Organomet. Chem., 1984, 260, 189. [all data]

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

Stull, 1947
Stull, Daniel R., Vapor Pressure of Pure Substances. Organic and Inorganic Compounds, Ind. Eng. Chem., 1947, 39, 4, 517-540, https://doi.org/10.1021/ie50448a022 . [all data]

Pankajavalli, Mallika, et al., 2002
Pankajavalli, R.; Mallika, C.; Sreedharan, O.M.; Raghunathan, V.S.; Antony Premkumar, P.; Nagaraja, K.S., Thermal stability of organo-chromium or chromium organic complexes and vapor pressure measurements on tris(2,4-pentanedionato)chromium(III) and hexacarbonyl chromium(0) by TG-based transpiration method, Chemical Engineering Science, 2002, 57, 17, 3603-3610, https://doi.org/10.1016/S0009-2509(02)00248-8 . [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]

Boni, 1966
Boni, A.A., The Vapor Pressures of Titanium Tetrabromide and Chromium Carbonyl, J. Electrochem. Soc., 1966, 113, 10, 1089, https://doi.org/10.1149/1.2423762 . [all data]

Windsor and Blanchard, 1934
Windsor, Manly M.; Blanchard, Arthur A., The Vapor Pressure and Molecular Weight of Chromium Carbonyl, J. Am. Chem. Soc., 1934, 56, 4, 823-825, https://doi.org/10.1021/ja01319a015 . [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]

Das, Nishimura, et al., 1985
Das, P.R.; Nishimura, T.; Meisels, G.G., Fragmentation of energy-selected hexacarbonylchromium ion, J. Phys. Chem., 1985, 89, 2808. [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]

Paetzold and Abd-el-Mottaleb, 1975
Paetzold, R.; Abd-el-Mottaleb, S., Correlative studies of some spectroscopic and bonding parameters in octahedrally coordinated metal carbonyl complexes, J. Mol. Struct., 1975, 24, 357. [all data]

Muller, Fenderl, et al., 1971
Muller, J.; Fenderl, K.; Mertschenk, B., Die Donor-Akzeptor-Eigenschaften des Liganden Trifluorphosphin in Ubergangsmetallkomplexen, Chem. Ber., 1971, 104, 700. [all data]

Fischer, Kreiter, et al., 1971
Fischer, E.O.; Kreiter, C.G.; Kollmeier, H.J.; Muller, J.; Fischer, R.D., Ubergangsmetall- carben-komplexe. XXVII. Ringsubstituierte (methoxyphenylcarben)-pentacarbonylchrom(0)- komplexe, J. Organomet. Chem., 1971, 28, 237. [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]

English, Plowman, et al., 1979
English, A.M.; Plowman, K.R.; Butler, I.S.; Diemann, E.; Muller, A., He(I) photoelectron spectra of pentacarbonyl(selenocarbonyl)chromium(0) related complexes, Inorg. Chim. Acta, 1979, 32, 113. [all data]

Block and Fenske, 1977
Block, T.F.; Fenske, R.F., A photoelectron spectroscopic study of some pentacarbonylchromium carbene complexes, J. Am. Chem. Soc., 1977, 99, 4321. [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]

Caulton and Fenske, 1968
Caulton, K.G.; Fenske, R.F., Electronic structure and bonding in V(CO)6-, Cr(CO)6, and Mn(CO)6+, Inorg. Chem., 1968, 7, 1273. [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]

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]

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]


Notes

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics data, References