thorium dioxide
- Formula: O2Th
- Molecular weight: 264.0369
- IUPAC Standard InChI: InChI=1S/2O.Th
- IUPAC Standard InChIKey: ZCUFMDLYAMJYST-UHFFFAOYSA-N
- CAS Registry Number: 1314-20-1
- Chemical structure:
This structure is also available as a 2d Mol file - Permanent link for this species. Use this link for bookmarking this species for future reference.
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Condensed phase thermochemistry data
Go To: Top, Gas phase ion energetics data, 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°solid | -293.12 ± 0.84 | kcal/mol | Review | Cox, Wagman, et al., 1984 | CODATA Review value |
| Quantity | Value | Units | Method | Reference | Comment |
| S°solid,1 bar | 15.59 ± 0.048 | cal/mol*K | Review | Cox, Wagman, et al., 1984 | CODATA 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 |
|---|---|---|---|
| 8.7 ± 0.15 | EI | Rauh and Ackermann, 1974 | LLK |
| 8. ± 1. | EI | Hildenbrand and Murad, 1974 | LLK |
| 8.7 ± 0.15 | EI | Ackermann and Rauh, 1973 | LLK |
| 10.9 | EI | Il'ina, Rutgaizer, et al., 1967 | RDSH |
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: X
| Vib. sym. |
No. | Approximate type of mode |
cm-1 | Med. | Method | References | |
|---|---|---|---|---|---|---|---|
| a1 | 1 | Sym. stretch | 808.4 | Ne | IR | Zhou and Andrews, 1999 | |
| 1 | Sym. stretch | 787.3 | Ar | IR | Gabelnick, Reedy, et al., 1974 Kushto and Andrews, 1999 | ||
| b2 | 3 | Asym. stretch | 756.7 | Ne | IR | Zhou and Andrews, 1999 | |
| 3 | Asym. stretch | 735.0 | Ar | IR | Gabelnick, Reedy, et al., 1974 Kushto and Andrews, 1999 | ||
Additional references: Jacox, 1998, page 179; Jacox, 2003, page 110
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]
Hildenbrand and Murad, 1974
Hildenbrand, D.L.; Murad, E.,
Mass spectrometric studies of gaseous ThO and ThO2,
J. Chem. Phys., 1974, 61, 1232. [all data]
Ackermann and Rauh, 1973
Ackermann, R.J.; Rauh, E.G.,
High temperature properties of the thorium-oxygen system: a revision of the thermodynamic properties of ThO(g) and ThO2(g),
High Temp. Sci., 1973, 5, 463. [all data]
Il'ina, Rutgaizer, et al., 1967
Il'ina, G.G.; Rutgaizer, Yu.S.; Semenov, G.A.,
Ion source for mass spectral study of the energy characteristics of molecules,
Pribory i Tekhn. Ekrperim.,, 1967, 151, In original 158. [all data]
Zhou and Andrews, 1999
Zhou, M.; Andrews, L.,
Infrared spectra and pseudopotential calculations for NUO[sup +], NUO, and NThO in solid neon,
J. Chem. Phys., 1999, 111, 24, 11044, https://doi.org/10.1063/1.480463
. [all data]
Gabelnick, Reedy, et al., 1974
Gabelnick, S.D.; Reedy, G.T.; Chasanov, M.G.,
Infrared spectra and structure of some matrix-isolated lanthanide and actinide oxides,
J. Chem. Phys., 1974, 60, 3, 1167, https://doi.org/10.1063/1.1681128
. [all data]
Kushto and Andrews, 1999
Kushto, G.P.; Andrews, L.,
Infrared Spectroscopic and Density Functional Theoretical Investigation of the Reaction Products of Laser-Ablated Zr, Hf, and Th Atoms with Nitric Oxide,
J. Phys. Chem. A, 1999, 103, 25, 4836, https://doi.org/10.1021/jp9905732
. [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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- Symbols used in this document:
S°solid,1 bar Entropy of solid at standard conditions (1 bar) ΔfH°solid Enthalpy of formation of solid at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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