chromium dioxide

• Formula: CrO₂
• Molecular weight: 83.9949
• IUPAC Standard InChI: InChI=1S/Cr.2O/q+4;2*-2 Copy

  
• IUPAC Standard InChIKey: IAQWMWUKBQPOIY-UHFFFAOYSA-N Copy
• CAS Registry Number: 12018-01-8
• Chemical structure:
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• Information on this page:
  • Gas phase thermochemistry data
  • Vibrational and/or electronic energy levels
  • References
  • Notes
• Other data available:
  • Gas phase ion energetics data
• Data at other public NIST sites:
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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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Vibrational and/or electronic energy levels

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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: Marilyn E. Jacox

State:   B

State:   A

State:   X

Additional references: Jacox, 1998, page 175; Jacox, 2003, page 104

Notes

References

Go To: Top, Gas phase thermochemistry data, Vibrational and/or electronic energy levels, 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, CrO[sub n][sup -] and CrO[sub n] (n=1--5) from photoelectron spectroscopy and density functional theory calculations, J. Chem. Phys., 2001, 115, 17, 7935, https://doi.org/10.1063/1.1405438 . [all data]

Wenthold, Jonas, et al., 1997
Wenthold, P.G.; Jonas, K.-L.; Lineberger, W.C., Ultraviolet Photoelectron Spectroscopy of the Chromium Dioxide Negative Ion, J. Chem. Phys., 1997, 106, 23, 9961, https://doi.org/10.1063/1.473840 . [all data]

Zhou and Andrews, 1999
Zhou, M.; Andrews, L., Infrared spectra and density functional calculations of the CrO[sub 2][sup -], MoO[sub 2][sup -], and WO[sub 2][sup -] molecular anions in solid neon, J. Chem. Phys., 1999, 111, 9, 4230, https://doi.org/10.1063/1.479721 . [all data]

Chertihin, Bare, et al., 1997
Chertihin, G.V.; Bare, W.D.; Andrews, L., Reactions of laser-ablated chromium atoms with dioxygen. Infrared spectra of CrO, OCrO, CrOO, CrO[sub 3], Cr(OO)[sub 2], Cr[sub 2]O[sub 2], Cr[sub 2]O[sub 3] and Cr[sub 2]O[sub 4] in solid argon, J. Chem. Phys., 1997, 107, 8, 2798, https://doi.org/10.1063/1.474637 . [all data]

Souter and Andrews, 1997
Souter, P.F.; Andrews, L., A Spectroscopic and Theoretical Study of the Reactions of Group 6 Metal Atoms with Carbon Dioxide, J. Am. Chem. Soc., 1997, 119, 31, 7350, https://doi.org/10.1021/ja971038n . [all data]

Darling, Garton-Sprenger, et al., 1974
Darling, J.H.; Garton-Sprenger, M.B.; Ogden, J.S., Matrix isolation studies on reactions of metal atoms. The characterisation of Cu(O2)2 and Cr(O2)2, Sympos. Faraday Soc., 1974, 8, 75, https://doi.org/10.1039/fs9730800075 . [all data]

Poliakoff, Smith, et al., 1982
Poliakoff, M.; Smith, K.P.; Turner, J.J.; Wilkinson, A.J., J. Chem. Soc., 1982, Dalton Trans. 651. [all data]

Almond, Downs, et al., 1985
Almond, M.J.; Downs, A.J.; Perutz, R.N., Matrix photooxidation of the metal carbonyls M(CO)6 (M = Cr, W) by the isoelectronic molecules carbon dioxide and nitrous oxide, Inorg. Chem., 1985, 24, 3, 275, https://doi.org/10.1021/ic00197a007 . [all data]

Almond and Downs, 1988
Almond, M.J.; Downs, A.J., J. Chem. Soc., 1988, Dalton Trans. 809. [all data]

Almond and Hahne, 1988
Almond, M.J.; Hahne, M., J. Chem. Soc., 1988, Dalton Trans. 2255. [all data]

Jacox, 1998
Jacox, M.E., Vibrational and electronic energy levels of polyatomic transient molecules: supplement A, J. Phys. Chem. Ref. Data, 1998, 27, 2, 115-393, https://doi.org/10.1063/1.556017 . [all data]

Jacox, 2003
Jacox, M.E., Vibrational and electronic energy levels of polyatomic transient molecules: supplement B, J. Phys. Chem. Ref. Data, 2003, 32, 1, 1-441, https://doi.org/10.1063/1.1497629 . [all data]

Notes

Go To: Top, Gas phase thermochemistry data, Vibrational and/or electronic energy levels, References

• Symbols used in this document:
  

  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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