Chromium monoxide
- Formula: CrO
- Molecular weight: 67.9955
- IUPAC Standard InChI: InChI=1S/Cr.O
- IUPAC Standard InChIKey: XVOFZWCCFLVFRR-UHFFFAOYSA-N
- CAS Registry Number: 12018-00-7
- Chemical structure:
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Gas phase thermochemistry data
Go To: Top, Gas phase ion energetics data, References, Notes
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 |
|---|---|---|---|---|---|
| ΔfH°gas | 45.000 | kcal/mol | Review | Chase, 1998 | Data last reviewed in December, 1973 |
| Quantity | Value | Units | Method | Reference | Comment |
| S°gas,1 bar | 57.185 | cal/mol*K | Review | Chase, 1998 | Data 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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| Temperature (K) | 298. to 1400. | 1400. to 6000. |
|---|---|---|
| A | 6.570459 | 9.718829 |
| B | 5.104432 | -0.531253 |
| C | -3.959140 | 0.162464 |
| D | 1.091230 | -0.010756 |
| E | -0.025572 | -0.658077 |
| F | 42.76109 | 40.71310 |
| G | 63.63740 | 67.27560 |
| H | 45.00000 | 45.00000 |
| Reference | Chase, 1998 | Chase, 1998 |
| Comment | Data last reviewed in December, 1973 | Data last reviewed in December, 1973 |
Gas phase ion energetics data
Go To: Top, Gas phase thermochemistry data, References, Notes
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 ± 0.010 | LPES | Gutsev, Jena, et al., 2001 | B |
| 1.2210 ± 0.0060 | LPES | Wenthold, Gunion, et al., 1996 | B |
| 1.30 ± 0.70 | EIAE | Flesch, White, et al., 1969 | From CrO2F2; B |
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 7.85 ± 0.02 | PE | Dyke, Gravenor, et al., 1983 | LBLHLM |
| 7.7 ± 0.3 | END | Armentrout, Halle, et al., 1982 | LBLHLM |
| 8.2 ± 0.5 | EI | Balducci, Gigli, et al., 1981 | LLK |
| 8.4 ± 0.5 | EI | Grimley, Burns, et al., 1961 | RDSH |
| 8.16 ± 0.01 | PE | Dyke, Gravenor, et al., 1983 | Vertical value; LBLHLM |
References
Go To: Top, Gas phase thermochemistry data, 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.
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
Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics data, References
- 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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