Tantalum dioxide
- Formula: O2Ta
- Molecular weight: 212.9467
- IUPAC Standard InChI: InChI=1S/2O.Ta/q2*-2;+4
- IUPAC Standard InChIKey: DPWBZNOQZSTFQV-UHFFFAOYSA-N
- CAS Registry Number: 12036-14-5
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Permanent link for this species. Use this link for bookmarking this species for future reference.
- Information on this page:
- Other data available:
- Options:
Gas phase thermochemistry data
Go To: Top, 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 | -200.83 | kJ/mol | Review | Chase, 1998 | Data last reviewed in December, 1973 |
| Quantity | Value | Units | Method | Reference | Comment |
| S°gas,1 bar | 280.30 | J/mol*K | Review | Chase, 1998 | Data 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 (J/mol*K)
H° = standard enthalpy (kJ/mol)
S° = standard entropy (J/mol*K)
t = temperature (K) / 1000.
View plot Requires a JavaScript / HTML 5 canvas capable browser.
| Temperature (K) | 298. to 1200. | 1200. to 6000. |
|---|---|---|
| A | 32.64738 | 61.35459 |
| B | 57.91116 | -3.785257 |
| C | -49.87161 | 1.403637 |
| D | 15.20424 | -0.117692 |
| E | -0.169117 | -3.103420 |
| F | -213.2982 | -227.3586 |
| G | 303.6739 | 343.3671 |
| H | -200.8320 | -200.8320 |
| Reference | Chase, 1998 | Chase, 1998 |
| Comment | Data last reviewed in December, 1973 | Data last reviewed in December, 1973 |
Vibrational and/or electronic energy levels
Go To: Top, Gas 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: 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
| o | Energy separation between the v = 0 levels of the excited and electronic ground states. |
References
Go To: Top, Gas 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 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
Go To: Top, Gas 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) ΔfH°gas Enthalpy of formation of gas at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
- The National Institute of Standards and Technology (NIST) uses its best efforts to deliver a high quality copy of the Database and to verify that the data contained therein have been selected on the basis of sound scientific judgment. However, NIST makes no warranties to that effect, and NIST shall not be liable for any damage that may result from errors or omissions in the Database.
- Customer support for NIST Standard Reference Data products.