Chromium monoxide

• Formula: CrO
• Molecular weight: 67.9955
• IUPAC Standard InChI: InChI=1S/Cr.O Copy

  
• IUPAC Standard InChIKey: XVOFZWCCFLVFRR-UHFFFAOYSA-N Copy
• CAS Registry Number: 12018-00-7
• 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.
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• Information on this page:
  • Gas phase thermochemistry data
  • Gas phase ion energetics data
  • Constants of diatomic molecules
  • References
  • Notes
• Other data available:
  • Reaction thermochemistry data
• Data at other public NIST sites:
  • Gas Phase Kinetics Database
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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.

Gas Phase Heat Capacity (Shomate Equation)

C_p° = 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
    C_p = heat capacity (J/mol*K)
    H° = standard enthalpy (kJ/mol)
    S° = standard entropy (J/mol*K)
    t = temperature (K) / 1000.

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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

Ionization energy determinations

Constants of diatomic molecules

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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: Klaus P. Huber and Gerhard H. Herzberg

Data collected through December, 1974

Notes

References

Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics data, Constants of diatomic molecules, Notes

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]

Ferguson, 1932
Ferguson, W.F.C., The chromium oxide and the vanadium oxide band spectra, Bur. Stand. J. Res. US, 1932, 8, 381. [all data]

Ghosh, 1932
Ghosh, C., Das bandenspektrum des chromoxyds, Z. Phys., 1932, 78, 521. [all data]

Murthy and Nagaraj, 1964
Murthy, N.S.; Nagaraj, S., A note on the Franck-Condon factors and r-centroids of the CrO (A→X) band system, Proc. Phys. Soc. London, 1964, 84, 827. [all data]

Notes

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• Symbols used in this document:
  

  EA	Electron affinity
  S°gas,1 bar	Entropy of gas at standard conditions (1 bar)
  ΔfH°gas	Enthalpy of formation of gas at standard conditions

• Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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