chromium dioxide
- Formula: CrO2
- Molecular weight: 83.9949
- IUPAC Standard InChI: InChI=1S/Cr.2O/q+4;2*-2
- IUPAC Standard InChIKey: IAQWMWUKBQPOIY-UHFFFAOYSA-N
- CAS Registry Number: 12018-01-8
- 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 | -18.00 | kcal/mol | Review | Chase, 1998 | Data last reviewed in December, 1973 |
| Quantity | Value | Units | Method | Reference | Comment |
| S°gas,1 bar | 64.350 | 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 1100. | 1100. to 6000. |
|---|---|---|
| A | 6.686329 | 13.82870 |
| B | 16.75240 | 0.045478 |
| C | -14.95620 | -0.009165 |
| D | 4.775569 | 0.000632 |
| E | -0.009828 | -0.616162 |
| F | -20.64870 | -23.83240 |
| G | 68.01341 | 78.53540 |
| H | -18.00000 | -18.00000 |
| 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:
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
B - John E. Bartmess
View reactions leading to CrO2+ (ion structure unspecified)
Electron affinity determinations
| EA (eV) | Method | Reference | Comment |
|---|---|---|---|
| 2.430 ± 0.020 | LPES | Gutsev, Jena, et al., 2001 | B |
| 2.4130 ± 0.0080 | LPES | Wenthold, Jonas, et al., 1997 | B |
| 2.30 ± 0.70 | EIAE | Flesch, White, et al., 1969 | From CrO2F2; B |
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 10.3 ± 0.5 | EI | Grimley, Burns, et al., 1961 | RDSH |
Appearance energy determinations
| Ion | AE (eV) | Other Products | Method | Reference | Comment |
|---|---|---|---|---|---|
| CrO+ | 13.5 | O | EI | Grimley, Burns, et al., 1961 | RDSH |
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, 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]
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]
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:
AE Appearance energy 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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