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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
Deltafgas188.28kJ/molReviewChase, 1998Data last reviewed in December, 1973
Quantity Value Units Method Reference Comment
gas,1 bar239.26J/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 (J/mol*K)
    H° = standard enthalpy (kJ/mol)
    S° = standard entropy (J/mol*K)
    t = temperature (K) / 1000.

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View table.

Temperature (K) 298. - 1400.1400. - 6000.
A 27.4908040.66358
B 21.35694-2.222764
C -16.565040.679749
D 4.565706-0.045004
E -0.106995-2.753395
F 178.9124170.3436
G 266.2589281.4811
H 188.2800188.2800
ReferenceChase, 1998Chase, 1998
Comment Data last reviewed in December, 1973 Data last reviewed in December, 1973

Reaction 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: John E. Bartmess

Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.

Individual Reactions

(CAS Reg. No. 53293-42-8 bullet 4294967295Chromium monoxide) + Chromium monoxide = CAS Reg. No. 53293-42-8

By formula: (CAS Reg. No. 53293-42-8 bullet 4294967295CrO) + CrO = CAS Reg. No. 53293-42-8

Quantity Value Units Method Reference Comment
Deltar617. ± 36.kJ/molN/AWenthold, Jonas, et al., 1997gas phase

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

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

Symbols used in the table of constants
SymbolMeaning
State electronic state and / or symmetry symbol
Te minimum electronic energy (cm-1)
ωe vibrational constant – first term (cm-1)
ωexe vibrational constant – second term (cm-1)
ωeye vibrational constant – third term (cm-1)
Be rotational constant in equilibrium position (cm-1)
αe rotational constant – first term (cm-1)
γe rotation-vibration interaction constant (cm-1)
De centrifugal distortion constant (cm-1)
βe rotational constant – first term, centrifugal force (cm-1)
re internuclear distance (Å)
Trans. observed transition(s) corresponding to electronic state
ν00 position of 0-0 band (units noted in table)
Diatomic constants for (52)Cr16O
StateTeomegaeomegaexeomegaeyeBealphaegammaeDebetaereTrans.nu00
B 5Pi 16586 1 750.5 H 9.4  0.4874 0.0044    1.703 B rarrow X R 16487.6
Ferguson, 1932; Ghosh, 1932; missing citation; missing citation; Murthy and Nagaraj, 1964
  750.5 H 9.4  0.4801 0.0048    1.703 B rarrow X R 16501.2
Ferguson, 1932; Ghosh, 1932; missing citation; missing citation; Murthy and Nagaraj, 1964
  750.5 H 9.4  0.4751 0.0057    1.703 B rarrow X R 16511.3
Ferguson, 1932; Ghosh, 1932; missing citation; missing citation; Murthy and Nagaraj, 1964
  750.5 H 9.4  0.4735 0.0070    1.703 B rarrow X R 16519.4
Ferguson, 1932; Ghosh, 1932; missing citation; missing citation; Murthy and Nagaraj, 1964
  750.5 H 9.4  0.4675 0.0050    1.703 B rarrow X R 16515.2
Ferguson, 1932; Ghosh, 1932; missing citation; missing citation; Murthy and Nagaraj, 1964
StateTeomegaeomegaexeomegaeyeBealphaegammaeDebetaereTrans.nu00
            (11117)
missing citation
X 5Pi 0 2 898.4 H 6.75  0.5410 0.0049    1.615  
0 2 898.4 H 6.75  0.5348 0.0049    1.615  
0 2 898.4 H 6.75  0.5284 0.0050    1.615  
0 2 898.4 H 6.75  0.5233 0.0036    1.615  
0 2 898.4 H 6.75  0.5231 0.0070    1.615  

Notes

1|A| ~100.
2|A| ~110. Not certain that this is the ground state.
3Thermochemical value (mass-spectrom.) Grimley, Burns, et al., 1961.

References

Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics data, Constants of diatomic molecules, NIST Free Links, 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]

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]

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 (X5«PI») 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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