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tungsten dioxide


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
Deltafgas18.30kcal/molReviewChase, 1998Data last reviewed in September, 1966
Quantity Value Units Method Reference Comment
gas,1 bar68.236cal/mol*KReviewChase, 1998Data 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. - 1100.1100. - 6000.
A 7.12618113.88560
B 15.950100.060258
C -14.39020-0.041791
D 4.6321710.008153
E -0.022844-0.625701
F 15.5074012.46390
G 72.5734982.52971
H 18.3000018.30000
ReferenceChase, 1998Chase, 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
Deltafsolid-140.94kcal/molReviewChase, 1998Data last reviewed in September, 1966
Quantity Value Units Method Reference Comment
solid12.07cal/mol*KReviewChase, 1998Data 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. - 1300.1300. - 3000.
A 12.76500-43.79639
B 12.7945063.08069
C -9.324021-21.02300
D 2.6577902.565340
E -0.22257218.59020
F -145.9860-91.84541
G 22.84240-12.17340
H -140.9400-140.9400
ReferenceChase, 1998Chase, 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   «lambda»min 
 (nm) 
 «lambda»max 
 (nm) 
 References

To = 12672 Ne 605 790 Weltner and McLeod, 1965

State:   3A1 ?


 Energy 
 (cm-1
 Med.   Transition   «lambda»min 
 (nm) 
 «lambda»max 
 (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   «lambda»min 
 (nm) 
 «lambda»max 
 (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   «lambda»min 
 (nm) 
 «lambda»max 
 (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

LLower bound
oEnergy 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