Chromium monoxide


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.

Quantity Value Units Method Reference Comment
Δfgas45.000kcal/molReviewChase, 1998Data last reviewed in December, 1973
Quantity Value Units Method Reference Comment
gas,1 bar57.185cal/mol*KReviewChase, 1998Data last reviewed in December, 1973

Gas Phase Heat Capacity (Shomate Equation)

Cp° = A + B*t + C*t2 + D*t3 + E/t2
H° − H°298.15= A*t + B*t2/2 + C*t3/3 + D*t4/4 − E/t + F − H
S° = A*ln(t) + B*t + C*t2/2 + D*t3/3 − E/(2*t2) + G
    Cp = heat capacity (cal/mol*K)
    H° = standard enthalpy (kcal/mol)
    S° = standard entropy (cal/mol*K)
    t = temperature (K) / 1000.

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View table.

Temperature (K) 298. to 1400.1400. to 6000.
A 6.5704599.718829
B 5.104432-0.531253
C -3.9591400.162464
D 1.091230-0.010756
E -0.025572-0.658077
F 42.7610940.71310
G 63.6374067.27560
H 45.0000045.00000
ReferenceChase, 1998Chase, 1998
Comment Data last reviewed in December, 1973 Data last reviewed in December, 1973

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 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
B - John E. Bartmess

View reactions leading to CrO+ (ion structure unspecified)

Electron affinity determinations

EA (eV) Method Reference Comment
1.220 ± 0.010LPESGutsev, Jena, et al., 2001B
1.2210 ± 0.0060LPESWenthold, Gunion, et al., 1996B
1.30 ± 0.70EIAEFlesch, White, et al., 1969From CrO2F2; B

Ionization energy determinations

IE (eV) Method Reference Comment
7.85 ± 0.02PEDyke, Gravenor, et al., 1983LBLHLM
7.7 ± 0.3ENDArmentrout, Halle, et al., 1982LBLHLM
8.2 ± 0.5EIBalducci, Gigli, et al., 1981LLK
8.4 ± 0.5EIGrimley, Burns, et al., 1961RDSH
8.16 ± 0.01PEDyke, Gravenor, et al., 1983Vertical value; LBLHLM

References

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

Chase, 1998
Chase, M.W., Jr., NIST-JANAF Themochemical Tables, Fourth Edition, J. Phys. Chem. Ref. Data, Monograph 9, 1998, 1-1951. [all data]

Gutsev, Jena, et al., 2001
Gutsev, G.L.; Jena, P.; Zhai, H.J.; Wang, L.S., Electronic structure of chromium oxides, CrOn- and CrOn (n=1-5) from photoelectron spectroscopy and density functional theory calculations, J. Chem. Phys., 2001, 115, 17, 7935-7944, https://doi.org/10.1063/1.1405438 . [all data]

Wenthold, Gunion, et al., 1996
Wenthold, P.G.; Gunion, R.F.; Lineberger, W.C., Ultraviolet Negative-ion Photoelectron Spectroscopy of the Chromium Oxide Negative Ion, Chem. Phys. Lett., 1996, 258, 1-2, 101, https://doi.org/10.1016/0009-2614(96)00611-2 . [all data]

Flesch, White, et al., 1969
Flesch, G.D.; White, R.M.; Svec, H.J., The Positive and Negative Ion Mass Spectra of Chromyl Chloride and Chromyl Fluoride, Int. J. Mass Spectrom. Ion Phys., 1969, 3, 5, 239, https://doi.org/10.1016/0020-7381(69)80079-3 . [all data]

Dyke, Gravenor, et al., 1983
Dyke, J.M.; Gravenor, B.W.J.; Lewis, R.A.; Morris, A., A study of the first ionization potential of the CrO (X5Π) molecule with high-temperature photoelectron spectroscopy, J. Chem. Soc. Faraday Trans. 2, 1983, 79, 2083. [all data]

Armentrout, Halle, et al., 1982
Armentrout, P.B.; Halle, L.F.; Beauchamp, J.L., Reaction of Cr+, Mn+, Fe+, Co+, and Ni+ with O2 and N2O. Examination of the translational energy dependence of the cross sections of endothermic reactions, J. Chem. Phys., 1982, 76, 2449. [all data]

Balducci, Gigli, et al., 1981
Balducci, G.; Gigli, G.; Guido, M., Dissociation energies of the molecules CrPO2(g) and CoO(g) by high-temperature mass spectrometry, J. Chem. Soc. Faraday Trans. 2, 1981, 77, 1107. [all data]

Grimley, Burns, et al., 1961
Grimley, R.T.; Burns, R.P.; Inghram, M.G., Thermodynamics of the vaporization of Cr2O3: dissociation energies of CrO, CrO2, and CrO3, J. Chem. Phys., 1961, 34, 664. [all data]


Notes

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