Tantalum dioxide

Gas phase thermochemistry 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.

Quantity Value Units Method Reference Comment
ΔfH°gas-48.000kcal/molReviewChase, 1998Data last reviewed in December, 1973
Quantity Value Units Method Reference Comment
S°gas,1 bar66.993cal/mol*KReviewChase, 1998Data last reviewed in December, 1973

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. - 1200.1200. - 6000.
A 7.80291214.66410
B 13.84110-0.904698
C -11.919600.335477
D 3.633901-0.028129
E -0.040420-0.741735
F -50.97949-54.34001
G 72.5798082.06671
H -48.00000-48.00000
ReferenceChase, 1998Chase, 1998
Comment Data last reviewed in December, 1973 Data last reviewed in December, 1973

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
8.5 ± 0.5EISmoes, Drowart, et al., 1976LLK
9. ± 0.5EIInghram, Chupka, et al., 1957RDSH

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:   B
 Energy 
 (cm-1) 		  Med.   Transition   λmin 
 (nm) 		  λmax 
 (nm) 		  References
To = 16232 Ne B-X 558 616 Weltner and McLeod, 1965
Vib. 
sym. 		  No.   Approximate 
 type of mode 		  cm-1   Med.   Method   References
2 Bend 281 Ne AB Weltner and McLeod, 1965

State:   A
 Energy 
 (cm-1) 		  Med.   Transition   λmin 
 (nm) 		  λmax 
 (nm) 		  References
To = 11615 Ne A-X 716 861 Weltner and McLeod, 1965
Vib. 
sym. 		  No.   Approximate 
 type of mode 		  cm-1   Med.   Method   References
1 Sym. stretch 937 Ne AB Weltner and McLeod, 1965
2 Bend 285 Ne AB Weltner and McLeod, 1965

State:   X

Vib. 
sym. 		  No.   Approximate 
 type of mode 		  cm-1   Med.   Method   References
a1 1 Sym. stretch 965.3 Ar IR Weltner and McLeod, 1965
Zhou and Andrews, 1998
Chen, Wang, et al., 1999
b2 3 Asym. stretch 912.2 Ar IR Weltner and McLeod, 1965
Zhou and Andrews, 1998
Chen, Wang, et al., 1999

Additional references: Jacox, 1998, page 176; Jacox, 2003, page 104

Notes

oEnergy 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

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]

Smoes, Drowart, et al., 1976
Smoes, S.; Drowart, J.; Myers, C.E., Determination of the atomization energies of the molecules TaO(g) TaO2(g) by the mass-spectrometric Knudsen-cell method, J. Chem. Thermodyn., 1976, 8, 225. [all data]

Inghram, Chupka, et al., 1957
Inghram, M.G.; Chupka, W.A.; Berkowitz, J., Thermodynamics of the Ta-O system: the dissociation energies of TaO and TaO2, J. Chem. Phys., 1957, 27, 569. [all data]

Weltner and McLeod, 1965
Weltner, W., Jr.; McLeod, D., Jr., Spectroscopy of TaO and TaO2 in Neon and Argon Matrices at 4° and 20°K, J. Chem. Phys., 1965, 42, 3, 882, https://doi.org/10.1063/1.1696076 . [all data]

Zhou and Andrews, 1998
Zhou, M.; Andrews, L., Reactions of Laser-Ablated Niobium and Tantalum Atoms with Oxygen Molecules: Infrared Spectra of Niobium and Tantalum Oxide Molecules, Anions, and Cations, J. Phys. Chem. A, 1998, 102, 43, 8251, https://doi.org/10.1021/jp982212c . [all data]

Chen, Wang, et al., 1999
Chen, M.; Wang, X.; Zhang, L.; Yu, M.; Qin, Q., Matrix-isolation infrared spectroscopic studies on ablated products generated from laser ablation of Ta2O5 and Ta in ambient O2/Ar gas, Chem. Phys., 1999, 242, 1, 81, https://doi.org/10.1016/S0301-0104(99)00005-1 . [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

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