tungsten dioxide

Formula: O₂W
Molecular weight: 215.84
CAS Registry Number: 12036-22-5
Information on this page:
Other data available:
- Condensed phase thermochemistry data
Data at other public NIST sites:
- X-ray Photoelectron Spectroscopy Database, version 5.0
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Gas phase thermochemistry data

Go To: Top, Gas phase ion energetics data, Vibrational and/or electronic energy levels, References, Notes

Quantity	Value	Units	Method	Reference	Comment
Δ_fH°_gas	76.57	kJ/mol	Review	Chase, 1998	Data last reviewed in September, 1966
Quantity	Value	Units	Method	Reference	Comment
S°_{gas,1 bar}	285.50	J/mol*K	Review	Chase, 1998	Data last reviewed in September, 1966

Gas Phase Heat Capacity (Shomate Equation)

C_p° = 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
C_p = 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. to 1100.	1100. to 6000.
A	29.81594	58.09735
B	66.73522	0.252121
C	-60.20860	-0.174854
D	19.38100	0.034110
E	-0.095578	-2.617933
F	64.88296	52.14896
G	303.6475	345.3043
H	76.56720	76.56720
Reference	Chase, 1998	Chase, 1998
Comment	Data last reviewed in September, 1966	Data last reviewed in September, 1966

Gas phase ion energetics data

Go To: Top, Gas phase thermochemistry data, Vibrational and/or electronic energy levels, References, Notes

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

View reactions leading to O₂W⁺ (ion structure unspecified)

Ionization energy determinations

IE (eV)	Method	Reference	Comment
9.5 ± 0.5	EI	Balducci, Gigli, et al., 1981	LLK
9.6 ± 0.3	EI	Gusarov, Gotkis, et al., 1975	LLK
9.9 ± 1.0	EI	Yamdagni, Pupp, et al., 1970	RDSH
9.8	EI	Drowart, Exsteen, et al., 1964	RDSH
9.9 ± 0.6	EI	DeMaria, Burns, et al., 1960	RDSH

Vibrational and/or electronic energy levels

Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics data, References, Notes

Data compiled by: Marilyn E. Jacox

State: ?

Energy (cm^-1)	Med.	λ_min (nm)	λ_max (nm)	References


T_o = 12672	Ne	605	790	Weltner and McLeod, 1965

State: 3A¹ ?

Energy (cm^-1)		Med.	References


T_o = 8010 ± 100	L	gas	Davico, Schwartz, et al., 1999

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


a₁	1	Sym. stretch	945 ± 25	gas	PE	Davico, Schwartz, et al., 1999
	2	Bend	340 ± 20	gas	PE	Davico, Schwartz, et al., 1999

State: 1B¹ ?

Energy (cm^-1)		Med.	References


T_o = 6260 ± 100	L	gas	Davico, Schwartz, et al., 1999

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


a₁	1	Sym. stretch	970 ± 15	gas	PE	Davico, Schwartz, et al., 1999

State: a

Energy (cm^-1)		Med.	References


T_o = 2640 ± 100	L	gas	Davico, Schwartz, et al., 1999

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


a₁	1	Sym. stretch	995 ± 25	gas	PE	Davico, Schwartz, et al., 1999
	2	Bend	320 ± 15	gas	PE	Davico, Schwartz, et al., 1999

State: ?

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


a₁	1	Sym. stretch	972	Ne	AB	Weltner and McLeod, 1965

State: ?

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


a₁	2	Bend	300	Ne	AB	Weltner and McLeod, 1965

State: X

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


a₁	1	Sym. stretch	1030.2	Ne	IR	Lorenz and Bondybey, 1999 Zhou and Andrews, 1999
	1	Sym. stretch	1025.0	Ar	IR	Zhou and Andrews, 1999
	2	Bend	325 ± 15	gas	PE	Davico, Schwartz, et al., 1999
b₂	3	Asym. stretch	983.8	Ne	IR	Lorenz and Bondybey, 1999 Zhou and Andrews, 1999
	3	Asym. stretch	977.9	Ar	IR	Zhou and Andrews, 1999
	3	Asym. stretch	975.5	Kr	IR	Green and Ervin, 1981

Additional references: Jacox, 1998, page 175; Jacox, 2003, page 105

Notes

Lower bound

Energy separation between the v = 0 levels of the excited and electronic ground states.

References

Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics data, Vibrational and/or electronic energy levels, Notes

Chase, 1998
Chase, M.W., Jr., NIST-JANAF Themochemical Tables, Fourth Edition, J. Phys. Chem. Ref. Data, Monograph 9, 1998, 1-1951. [all data]

Balducci, Gigli, et al., 1981
Balducci, G.; Gigli, G.; Guido, M., Dissociation energies of the molecules CrPO₂(g) and CoO(g) by high-temperature mass spectrometry, J. Chem. Soc. Faraday Trans. 2, 1981, 77, 1107. [all data]

Gusarov, Gotkis, et al., 1975
Gusarov, A.V.; Gotkis, I.S.; Gorokhov, L.N., Mass-spectrometric study of the evaporation products of the B₂O₃ - WO₃ system; Heat of formation of BWO₄(gas), High Temp., 1975, 13, 324. [all data]

Yamdagni, Pupp, et al., 1970
Yamdagni, R.; Pupp, C.; Porter, R.F., Mass spectrometric study of the evaporation of lithium and sodium molybdates and tungstates, J. Inorg. Nucl. Chem., 1970, 32, 3509. [all data]

Drowart, Exsteen, et al., 1964
Drowart, J.; Exsteen, G.; Verhaegen, G., Mass spectrometric determination of the dissociation energy of the molecules MgO, CaO, SrO and Sr₂O, J. Chem. Soc. Faraday Trans., 1964, 60, 1920. [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]

Weltner and McLeod, 1965
Weltner, W., Jr.; McLeod, D., Jr., Spectroscopy of tungsten oxide molecules in neon and argon matrices at 4° and 20°K, J. Mol. Spectrosc., 1965, 17, 2, 276, https://doi.org/10.1016/0022-2852(65)90167-0 . [all data]

Davico, Schwartz, et al., 1999
Davico, G.E.; Schwartz, R.L.; Ramond, T.M.; Lineberger, W.C., An Experimental Study of the Low-lying Electron States of WO2, J. Phys. Chem. A, 1999, 103, 31, 6167, https://doi.org/10.1021/jp9911752 . [all data]

Lorenz and Bondybey, 1999
Lorenz, M.; Bondybey, V.E., Isotopically resolved spectra of tungsten oxides in solid neon, Chem. Phys., 1999, 241, 1, 127, https://doi.org/10.1016/S0301-0104(98)00409-1 . [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]

Green and Ervin, 1981
Green, D.W.; Ervin, K.M., Infrared spectra of matrix-isolated tungsten oxides, J. MOl. Spectrosc., 1981, 89, 1, 145, https://doi.org/10.1016/0022-2852(81)90166-1 . [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, Gas phase ion energetics 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)

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

tungsten dioxide

Gas phase thermochemistry data

Gas Phase Heat Capacity (Shomate Equation)

Gas phase ion energetics data

Ionization energy determinations

Vibrational and/or electronic energy levels

State: ?

State: 3A1 ?

State: 1B1 ?

State: a

State: ?

State: ?

State: X

Notes

References

Notes

State: 3A¹ ?

State: 1B¹ ?