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
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Information on this page:
Other data available:
- Gas phase ion energetics data
Data at other public NIST sites:
- X-ray Photoelectron Spectroscopy Database, version 5.0
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Condensed phase thermochemistry data

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Quantity	Value	Units	Method	Reference	Comment
Δ_fH°_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

Vibrational and/or electronic energy levels

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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

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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]

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)

Δ_fH°_solid Enthalpy of formation of solid at standard conditions
Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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S°_{solid,1 bar}	Entropy of solid at standard conditions (1 bar)
Δ_fH°_solid	Enthalpy of formation of solid at standard conditions