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chromium dioxide


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
Deltafgas-75.31kJ/molReviewChase, 1998Data last reviewed in December, 1973
Quantity Value Units Method Reference Comment
gas,1 bar269.24J/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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Temperature (K) 298. - 1100.1100. - 6000.
A 27.9756057.85928
B 70.092040.190282
C -62.57674-0.038347
D 19.980980.002643
E -0.041121-2.578022
F -86.39416-99.71476
G 284.5681328.5921
H -75.31200-75.31200
ReferenceChase, 1998Chase, 1998
Comment Data last reviewed in December, 1973 Data last reviewed in December, 1973

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:
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 ± 0.020LPESGutsev, Jena, et al., 2001B
2.4130 ± 0.0080LPESWenthold, Jonas, et al., 1997B
2.30 ± 0.70EIAEFlesch, White, et al., 1969From CrO2F2; B

Ionization energy determinations

IE (eV) Method Reference Comment
10.3 ± 0.5EIGrimley, Burns, et al., 1961RDSH

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
CrO+13.5OEIGrimley, Burns, et al., 1961RDSH

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


 Energy 
 (cm-1
 Med.   Transition   «lambda»min 
 (nm) 
 «lambda»max 
 (nm) 
 References

Txx = 14680 ± 430 gas Gutsev, Jena, et al., 2001, 2

State:   A


 Energy 
 (cm-1
 Med.   Transition   «lambda»min 
 (nm) 
 «lambda»max 
 (nm) 
 References

Txx = 7910 ± 430 gas Gutsev, Jena, et al., 2001, 2

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, 2
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, 2
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

xxEnergy 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, Gas phase ion energetics data, Vibrational and/or electronic energy levels, 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]

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]

Gutsev, Jena, et al., 2001, 2
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]

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

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