vanadium dioxide
- Formula: O2V
- Molecular weight: 82.9403
- IUPAC Standard InChI: InChI=1S/2O.V/q2*-2;+4
- IUPAC Standard InChIKey: DUSYNUCUMASASA-UHFFFAOYSA-N
- CAS Registry Number: 12036-21-4
- Chemical structure:
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Gas phase thermochemistry data
Go To: Top, Gas phase ion energetics data, 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 | -232.63 | kJ/mol | Review | Chase, 1998 | Data last reviewed in December, 1973 |
| Quantity | Value | Units | Method | Reference | Comment |
| S°gas,1 bar | 265.26 | 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.
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| Temperature (K) | 298. to 1100. | 1100. to 6000. |
|---|---|---|
| A | 30.25819 | 57.91995 |
| B | 65.90386 | 0.157601 |
| C | -59.59146 | -0.031969 |
| D | 19.21213 | 0.002217 |
| E | -0.108944 | -2.362843 |
| F | -244.4590 | -256.5512 |
| G | 284.0990 | 325.3428 |
| H | -232.6304 | -232.6304 |
| Reference | Chase, 1998 | Chase, 1998 |
| Comment | Data last reviewed in December, 1973 | Data last reviewed in December, 1973 |
Gas phase ion energetics data
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 as indicated in comments:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
B - John E. Bartmess
Electron affinity determinations
| EA (eV) | Method | Reference | Comment |
|---|---|---|---|
| 1.83570 ± 0.00050 | N/A | Kim, Weichman, et al., 2014 | B |
| 2.030 ± 0.010 | LPES | Wu and Wang, 1998 | 14KIM/WEi: this energy is an incorrect assignment; B |
| 2.31 ± 0.21 | R-A | Rudnyi, Kaibicheva, et al., 1993 | value altered from reference due to conversion from electron convention to ion convention; B |
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 12.7 ± 0.2 | EI | Bennett, Lin, et al., 1974 | LLK |
| 10. ± 2. | EI | Farber, Uy, et al., 1972 | LLK |
References
Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics data, 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]
Kim, Weichman, et al., 2014
Kim, J.B.; Weichman, M.L.; Neumark, D.M.,
Vibronic structure of VO2 probed by slow photoelectron velocity-map imaging spectroscopy,
J. Chem. Phys., 2014, 140, 3, 034307, https://doi.org/10.1063/1.4861667
. [all data]
Wu and Wang, 1998
Wu, H.; Wang, L.-S.,
A Photoelectron Spectroscopic Study of Monovanadium Oxide Anions (VOx-, x=1-4),
J. Phys. Chem., 1998, 108, 13, 5310, https://doi.org/10.1063/1.475966
. [all data]
Rudnyi, Kaibicheva, et al., 1993
Rudnyi, E.B.; Kaibicheva, E.A.; Sidorov, L.N.,
Negative Ions VO2(-), VO3(-), V2O5(-), V3O8(-), and V4O10(-) in the Vapors of Vanadium Oxides - Determining Enthalpies of Formation from Equ,
J. Chem. Thermodyn., 1993, 25, 8, 929, https://doi.org/10.1006/jcht.1993.1090
. [all data]
Bennett, Lin, et al., 1974
Bennett, S.L.; Lin, S.-S.; Gilles, P.W.,
High-temperature vaporization of ternary systems. I. Mass spectrometry of oxygen-rich vanadium-tungsten-oxygen species,
J. Phys. Chem., 1974, 78, 266. [all data]
Farber, Uy, et al., 1972
Farber, M.; Uy, O.M.; Srivastava, R.D.,
Effusion-mass spectrometric determination of the heats of formation of the gaseous molecules V4O10, V4O8, VO2, and VO,
J. Chem. Phys., 1972, 56, 5312. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics data, References
- Symbols used in this document:
EA Electron affinity 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
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