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Chromium hexacarbonyl

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 - E.P. Hunter and S.G. Lias

Data compiled as indicated in comments:
LBLHLM - S.G. Lias, J.E. Bartmess, J.F. Liebman, J.L. Holmes, R.D. Levin, and W.G. Mallard
LLK - S.G. Lias, R.D. Levin, and S.A. Kafafi
RDSH - H.M. Rosenstock, K. Draxl, B.W. Steiner, and J.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8.40PECaulton and Fenske, 1968Vertical value; Unpublished result of W.C. Price; RDSH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


Go To: Top, 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.

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 «pi» 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]


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