tungsten dioxide
- Formula: O2W
- Molecular weight: 215.84
- CAS Registry Number: 12036-22-5
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Gas phase thermochemistry data
Go To: Top, Condensed phase thermochemistry 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°gas | 18.30 | kcal/mol | Review | Chase, 1998 | Data last reviewed in September, 1966 |
| Quantity | Value | Units | Method | Reference | Comment |
| S°gas,1 bar | 68.236 | cal/mol*K | Review | Chase, 1998 | Data last reviewed in September, 1966 |
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 (cal/mol*K)
H° = standard enthalpy (kcal/mol)
S° = standard entropy (cal/mol*K)
t = temperature (K) / 1000.
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| Temperature (K) | 298. to 1100. | 1100. to 6000. |
|---|---|---|
| A | 7.126181 | 13.88560 |
| B | 15.95010 | 0.060258 |
| C | -14.39020 | -0.041791 |
| D | 4.632171 | 0.008153 |
| E | -0.022844 | -0.625701 |
| F | 15.50740 | 12.46390 |
| G | 72.57349 | 82.52971 |
| H | 18.30000 | 18.30000 |
| Reference | Chase, 1998 | Chase, 1998 |
| Comment | Data last reviewed in September, 1966 | Data last reviewed in September, 1966 |
Condensed phase thermochemistry data
Go To: Top, Gas phase thermochemistry 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 | -140.94 | kcal/mol | Review | Chase, 1998 | Data last reviewed in September, 1966 |
| Quantity | Value | Units | Method | Reference | Comment |
| S°solid | 12.07 | cal/mol*K | Review | Chase, 1998 | Data last reviewed in September, 1966 |
Solid 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 (cal/mol*K)
H° = standard enthalpy (kcal/mol)
S° = standard entropy (cal/mol*K)
t = temperature (K) / 1000.
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| Temperature (K) | 298. to 1300. | 1300. to 3000. |
|---|---|---|
| A | 12.76500 | -43.79639 |
| B | 12.79450 | 63.08069 |
| C | -9.324021 | -21.02300 |
| D | 2.657790 | 2.565340 |
| E | -0.222572 | 18.59020 |
| F | -145.9860 | -91.84541 |
| G | 22.84240 | -12.17340 |
| H | -140.9400 | -140.9400 |
| Reference | Chase, 1998 | Chase, 1998 |
| Comment | Data last reviewed in September, 1966 | Data last reviewed in September, 1966 |
Vibrational and/or electronic energy levels
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, References, Notes
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: ?
| Energy (cm-1) |
Med. | Transition | λmin (nm) |
λmax (nm) |
References | ||
|---|---|---|---|---|---|---|---|
| To = 12672 | Ne | 605 | 790 | Weltner and McLeod, 1965 | |||
State: 3A1 ?
| Energy (cm-1) |
Med. | Transition | λmin (nm) |
λmax (nm) |
References | ||
|---|---|---|---|---|---|---|---|
| To = 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. | Transition | λmin (nm) |
λmax (nm) |
References | ||
|---|---|---|---|---|---|---|---|
| To = 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. | Transition | λmin (nm) |
λmax (nm) |
References | ||
|---|---|---|---|---|---|---|---|
| To = 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
| L | Lower bound |
| o | Energy separation between the v = 0 levels of the excited and electronic ground states. |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry 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.
Chase, 1998
Chase, M.W., Jr.,
NIST-JANAF Themochemical Tables, Fourth Edition,
J. Phys. Chem. Ref. Data, Monograph 9, 1998, 1-1951. [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, Condensed phase thermochemistry 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) S°solid Entropy of solid at standard conditions ΔfH°gas Enthalpy of formation of gas at standard conditions ΔfH°solid Enthalpy of formation of solid at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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