chromium dioxide
- Formula: CrO2
- Molecular weight: 83.9949
- 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, Vibrational and/or electronic energy levels, 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 |
Vibrational and/or electronic energy levels
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 by: Marilyn E. Jacox
State: B
Energy (cm-1) |
Med. | Transition | λmin (nm) |
λmax (nm) |
References | ||
---|---|---|---|---|---|---|---|
Txx = 14680 ± 430 | gas | Gutsev, Jena, et al., 2001 | |||||
State: A
Energy (cm-1) |
Med. | Transition | λmin (nm) |
λmax (nm) |
References | ||
---|---|---|---|---|---|---|---|
Txx = 7910 ± 430 | gas | Gutsev, Jena, et al., 2001 | |||||
State: X
Vib. sym. |
No. | Approximate type of mode |
cm-1 | Med. | Method | References | |
---|---|---|---|---|---|---|---|
a1 | 1 | Sym. stretch | 895 ± 20 | gas | PE | Wenthold, Jonas, et al., 1997 Gutsev, Jena, et al., 2001 | |
1 | Sym. stretch | 920.8 | Ne | IR | Zhou and Andrews, 1999 | ||
1 | Sym. stretch | 914.4 | Ar | IR | Chertihin, Bare, et al., 1997 Souter and Andrews, 1997 | ||
2 | Bend | 220 ± 20 | gas | PE | Wenthold, Jonas, et al., 1997 Gutsev, Jena, et al., 2001 | ||
b2 | 3 | Asym. stretch | 974.9 | Ne | IR | Zhou and Andrews, 1999 | |
3 | Asym. stretch | 965.4 | Ar | IR | Darling, Garton-Sprenger, et al., 1974 Poliakoff, Smith, et al., 1982 Almond, Downs, et al., 1985 Almond and Downs, 1988 Almond and Hahne, 1988 Chertihin, Bare, et al., 1997 Souter and Andrews, 1997 | ||
Additional references: Jacox, 1998, page 175; Jacox, 2003, page 104
Notes
xx | Energy separation between the band maxima of both the excited state and the ground state of a molecular cation, derived from a photoelectron spectrum. |
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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