Aluminum oxide
- Formula: AlO2
- Molecular weight: 58.9803
- CAS Registry Number: 11092-32-3
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Gas phase thermochemistry data
Go To: Top, Gas phase ion energetics 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 | -20.60 | kcal/mol | Review | Chase, 1998 | Data last reviewed in December, 1979 |
| Quantity | Value | Units | Method | Reference | Comment |
| S°gas,1 bar | 60.189 | cal/mol*K | Review | Chase, 1998 | Data last reviewed in December, 1979 |
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 1000. | 1000. to 6000. |
|---|---|---|
| A | 9.424092 | 15.58052 |
| B | 13.94749 | -0.639388 |
| C | -13.64006 | 0.188535 |
| D | 4.767161 | -0.012862 |
| E | -0.051019 | -0.685120 |
| F | -24.08987 | -27.00215 |
| G | 67.71200 | 76.65990 |
| H | -20.60000 | -20.60000 |
| Reference | Chase, 1998 | Chase, 1998 |
| Comment | Data last reviewed in December, 1979 | Data last reviewed in December, 1979 |
Gas phase ion energetics 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.
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 |
|---|---|---|---|
| 4.230 ± 0.010 | LPES | Desai, Wu, et al., 1996 | B |
| 4.05 ± 0.13 | TDEq | Srivastava, Uy, et al., 1972 | EA: 10 kcal > EA(Cl), new data for ΔHf(AlO2) and EA(Cl) used; B |
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 10.5 ± 1.0 | EI | Ho and Burns, 1980 | LLK |
| 10. ± 1. | EI | Farber, Srivastava, et al., 1972 | LLK |
| 10. ± 1. | EI | Farber, Srivastava, et al., 1971 | LLK |
Vibrational and/or electronic energy levels
Go To: Top, Gas phase thermochemistry data, 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.
Data compiled by: Marilyn E. Jacox
State: C
| Energy (cm-1) |
Med. | Transition | λmin (nm) |
λmax (nm) |
References | ||
|---|---|---|---|---|---|---|---|
| To = 17465 | Ar | A-X | 495 | 620 | Rozhanskii, Serebrennikov, et al., 1988 | ||
| Vib. sym. |
No. | Approximate type of mode |
cm-1 | Med. | Method | References | |
|---|---|---|---|---|---|---|---|
| Σg+ | 1 | Sym. stretch | 790 | Ar | LF | Rozhanskii, Serebrennikov, et al., 1988 | |
| Πu | 2 | Bend | 70 | Ar | LF | Rozhanskii, Serebrennikov, et al., 1988 | |
State: B
| Energy (cm-1) |
Med. | Transition | λmin (nm) |
λmax (nm) |
References | ||
|---|---|---|---|---|---|---|---|
| To = 6860 ± 180 | gas | Desai, Wu, et al., 1997 | |||||
State: A
| Energy (cm-1) |
Med. | Transition | λmin (nm) |
λmax (nm) |
References | ||
|---|---|---|---|---|---|---|---|
| To = 5240 ± 180 | gas | Desai, Wu, et al., 1997 | |||||
| Vib. sym. |
No. | Approximate type of mode |
cm-1 | Med. | Method | References | |
|---|---|---|---|---|---|---|---|
| Σu+ | 3 | Asym. stretch | 1015 | Ar | LF | Rozhanskii, Serebrennikov, et al., 1988 | |
| Σg+ | 1 | Sym. stretch | 810 ± 60 | gas | PE | Desai, Wu, et al., 1997 | |
| Πu | 2 | Bend | 70 | Ar | LF | Rozhanskii, Serebrennikov, et al., 1988 | |
| Σu+ | 3 | Asym. stretch | 1129.5 | Ar | IR | Andrews, Burkholder, et al., 1992 | |
State: X
| Vib. sym. |
No. | Approximate type of mode |
cm-1 | Med. | Method | References | |
|---|---|---|---|---|---|---|---|
| Σg+ | 1 | Sym. stretch | 635 | Ar | LF | Rozhanskii, Serebrennikov, et al., 1988 | |
Additional references: Jacox, 1994, page 75; Jacox, 1998, page 183
Notes
| o | Energy 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]
Desai, Wu, et al., 1996
Desai, S.R.; Wu, H.; Wang, L.-S.,
Vibrationally Resolved Photoelectron Spectroscopy of AlO- and AlO2-,
Int. J. Mass Spectrom. Ion Proc., 1996, 159, 1-3, 75, https://doi.org/10.1016/S0168-1176(96)04443-6
. [all data]
Srivastava, Uy, et al., 1972
Srivastava, R.D.; Uy, O.M.; Farber, M.,
Effusion mass spectrometric study of the thermodynamic properties of AlO- and AlO2-,
J. Chem. Soc. Faraday Trans. 2, 1972, 1, 1388. [all data]
Ho and Burns, 1980
Ho, P.; Burns, R.P.,
A mass spectrometric study of the AlO2 molecule,
High Temp. Sci., 1980, 12, 31. [all data]
Farber, Srivastava, et al., 1972
Farber, M.; Srivastava, R.D.; Uy, O.M.,
Mass spectrometric determination of the thermodynamic properties of the vapour species from alumina,
J. Chem. Soc. Faraday Trans. 1, 1972, 68, 249. [all data]
Farber, Srivastava, et al., 1971
Farber, M.; Srivastava, R.D.; Uy, O.M.,
Mass spectrometric determination of the heat of formation of the AlO2 molecule,
J. Chem. Phys., 1971, 55, 4142. [all data]
Rozhanskii, Serebrennikov, et al., 1988
Rozhanskii, I.L.; Serebrennikov, L.V.; Shevel'kov, V.F.,
Vestn. Mosk. Univ., 1988, Khim., 43, 560. [all data]
Desai, Wu, et al., 1997
Desai, S.R.; Wu, H.; Rohlfing, C.M.; Wang, L.-S.,
A Study of the Structure and Bonding of Small Aluminum Oxide Clusters by Photoelectron Spectroscopy: AlxOy- (x=1-2, y=1-5),
J. Chem. Phys., 1997, 106, 4, 1309, https://doi.org/10.1063/1.474085
. [all data]
Andrews, Burkholder, et al., 1992
Andrews, L.; Burkholder, T.R.; Yustein, J.T.,
Reactions of pulsed-laser evaporated aluminum atoms with oxygen: infrared spectra of the reaction products in solid argon,
J. Phys. Chem., 1992, 96, 25, 10182, https://doi.org/10.1021/j100204a018
. [all data]
Jacox, 1994
Jacox, M.E.,
Vibrational and electronic energy levels of polyatomic transient molecules, American Chemical Society, Washington, DC, 1994, 464. [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]
Notes
Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics data, Vibrational and/or electronic energy levels, 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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