uranium dioxide


Condensed 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
Δfsolid-259.32 ± 0.24kcal/molReviewCox, Wagman, et al., 1984CODATA Review value
Quantity Value Units Method Reference Comment
solid,1 bar18.41 ± 0.048cal/mol*KReviewCox, Wagman, et al., 1984CODATA Review value

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:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron

Ionization energy determinations

IE (eV) Method Reference Comment
5.4 ± 0.1EIRauh and Ackermann, 1974LLK
4.5 ± 1.5EIBlackburn and Danielson, 1972LLK
5.5 ± 0.4EIPattoret, Drowart, et al., 1968RDSH
5.5 ± 0.1EIMann, 1964RDSH
4.3 ± 0.6EIDeMaria, Burns, et al., 1960RDSH

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:   2g


 Energy 
 (cm-1
 Med.   Transition   λmin 
 (nm) 
 λmax 
 (nm) 
 References

To = 31838 ± 5 gas Han, Goncharov, et al., 2004


Vib. 
sym. 
 No.   Approximate 
 type of mode 
 cm-1   Med.   Method   References

Πu 2 Bend 71 ± 10 gas MPI Han, Goncharov, et al., 2004

State:   ?


 Energy 
 (cm-1
 Med.   Transition   λmin 
 (nm) 
 λmax 
 (nm) 
 References

To = 29700 ± 5 gas Han, Goncharov, et al., 2004

State:   ?


 Energy 
 (cm-1
 Med.   Transition   λmin 
 (nm) 
 λmax 
 (nm) 
 References

To = 27259 ± 5 gas Han, Goncharov, et al., 2004

State:   ?


 Energy 
 (cm-1
 Med.   Transition   λmin 
 (nm) 
 λmax 
 (nm) 
 References

To = 27120 Ar Lue, Jin, et al., 2004

State:   ?


 Energy 
 (cm-1
 Med.   Transition   λmin 
 (nm) 
 λmax 
 (nm) 
 References

To = 18423 ± 5 gas Han, Goncharov, et al., 2004

State:   ?


 Energy 
 (cm-1
 Med.   Transition   λmin 
 (nm) 
 λmax 
 (nm) 
 References

To = 18159 ± 5 gas Han, Goncharov, et al., 2004

State:   4g


 Energy 
 (cm-1
 Med.   Transition   λmin 
 (nm) 
 λmax 
 (nm) 
 References

To = 17859 ± 5 gas Han, Goncharov, et al., 2004


Vib. 
sym. 
 No.   Approximate 
 type of mode 
 cm-1   Med.   Method   References

Πu 2 Bend 80 T gas MPI Han, Goncharov, et al., 2004

State:   3D1u


 Energy 
 (cm-1
 Med.   Transition   λmin 
 (nm) 
 λmax 
 (nm) 
 References

To = 1401 Ar Lue, Jin, et al., 2004

State:   3D2u


 Energy 
 (cm-1
 Med.   Transition   λmin 
 (nm) 
 λmax 
 (nm) 
 References

To = 1094 Ar Lue, Jin, et al., 2004

State:   3F3u


 Energy 
 (cm-1
 Med.   Transition   λmin 
 (nm) 
 λmax 
 (nm) 
 References

To = 360 ± 5 gas Han, Goncharov, et al., 2004
To = 408 Ar Lue, Jin, et al., 2004


Vib. 
sym. 
 No.   Approximate 
 type of mode 
 cm-1   Med.   Method   References

Πu 2 Bend 135 ± 10 gas MPI Han, Goncharov, et al., 2004

State:   X


Vib. 
sym. 
 No.   Approximate 
 type of mode 
 cm-1   Med.   Method   References

Σg+ 1 Sym. stretch 771 ± 10 Ar IR LF Gabelnick, Reedy, et al., 1973
Lue, Jin, et al., 2004
Πu 2 Bend 121 ± 10 gas MPI Han, Goncharov, et al., 2004
2 Bend 225.2 Ar IR Green, Reedy, et al., 1980
Σu+ 3 Asym. stretch 914.8 Ne IR Sankaran, Sundararajan, et al., 1999
3 Asym. stretch 776.1 Ar IR Gabelnick, Reedy, et al., 1973
Hunt and Andrews, 1993
Sankaran, Sundararajan, et al., 1999
Zhou, Andrews, et al., 2000
3 Asym. stretch 768.0 Kr IR Gabelnick, Reedy, et al., 1973

Additional references: Jacox, 1998, page 179; Jacox, 2003, page 110

Notes

TTentative assignment or approximate value
oEnergy separation between the v = 0 levels of the excited and electronic ground states.

References

Go To: Top, Condensed phase thermochemistry data, Gas phase ion energetics 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.

Cox, Wagman, et al., 1984
Cox, J.D.; Wagman, D.D.; Medvedev, V.A., CODATA Key Values for Thermodynamics, Hemisphere Publishing Corp., New York, 1984, 1. [all data]

Rauh and Ackermann, 1974
Rauh, E.G.; Ackermann, R.J., First ionization potentials of some refractory oxide vapors, J. Chem. Phys., 1974, 60, 1396. [all data]

Blackburn and Danielson, 1972
Blackburn, P.E.; Danielson, P.M., Electron impact relative ionization cross sections fragmentation of U, UO, UO2, and UO3, J. Chem. Phys., 1972, 56, 6156. [all data]

Pattoret, Drowart, et al., 1968
Pattoret, A.; Drowart, J.; Smoes, S., Etudes thermodynamiques par spectrometrie de masse sur le systeme uranium-oxygene in Thermodyn. Nucl. Mater. Proc. Symp., 1967 Vienna, 1968, 613. [all data]

Mann, 1964
Mann, J.B., Ionization of U, UO, and UO2 by electron impact, J. Chem. Phys., 1964, 40, 1632. [all data]

DeMaria, Burns, et al., 1960
DeMaria, G.; Burns, R.P.; Drowart, J.; Inghram, M.G., Mass spectrometric study of gaseous molybdenum, tungsten, and uranium oxides, J. Chem. Phys., 1960, 32, 1373. [all data]

Han, Goncharov, et al., 2004
Han, J.; Goncharov, V.; Kaledin, L.A.; Komissarov, A.V.; Heaven, M.C., Electronic spectroscopy and ionization potential of UO[sub 2] in the gas phase, J. Chem. Phys., 2004, 120, 11, 5155, https://doi.org/10.1063/1.1647531 . [all data]

Lue, Jin, et al., 2004
Lue, C.J.; Jin, J.; Ortiz, M.J.; Rienstra-Kiracofe, J.C.; Heaven, M.C., Electronic Spectroscopy of UO, J. Am. Chem. Soc., 2004, 126, 6, 1812, https://doi.org/10.1021/ja038940h . [all data]

Gabelnick, Reedy, et al., 1973
Gabelnick, S.D.; Reedy, G.T.; Chasanov, M.G., Infrared spectra of matrix-isolated uranium oxide species. I. The stretching region, J. Chem. Phys., 1973, 58, 10, 4468, https://doi.org/10.1063/1.1679009 . [all data]

Green, Reedy, et al., 1980
Green, D.W.; Reedy, G.T.; Gabelnick, S.D., Infrared spectra of matrix-isolated uranium oxides. III. Low-frequency modes, J. Chem. Phys., 1980, 73, 9, 4207, https://doi.org/10.1063/1.440704 . [all data]

Sankaran, Sundararajan, et al., 1999
Sankaran, K.; Sundararajan, K.; Viswanathan, K.S., A matrix isolation FTIR investigation of laser-ablated uranium oxide in argon and nitrogen matrices, Bull. Mater. Sci., 1999, 22, 4, 785, https://doi.org/10.1007/BF02745606 . [all data]

Hunt and Andrews, 1993
Hunt, R.D.; Andrews, L., Reactions of pulsed-laser evaporated uranium atoms with molecular oxygen: Infrared spectra of UO, UO2, UO3, UO2+, UO22+, and UO3--O2 in solid argon, J. Chem. Phys., 1993, 98, 5, 3690, https://doi.org/10.1063/1.464045 . [all data]

Zhou, Andrews, et al., 2000
Zhou, M.; Andrews, L.; Ismail, N.; Marsden, C., Infrared Spectra of UO, J. Phys. Chem. A, 2000, 104, 23, 5495, https://doi.org/10.1021/jp000292q . [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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