Aluminum oxide


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
Δfgas-20.60kcal/molReviewChase, 1998Data last reviewed in December, 1979
Quantity Value Units Method Reference Comment
gas,1 bar60.189cal/mol*KReviewChase, 1998Data 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 9.42409215.58052
B 13.94749-0.639388
C -13.640060.188535
D 4.767161-0.012862
E -0.051019-0.685120
F -24.08987-27.00215
G 67.7120076.65990
H -20.60000-20.60000
ReferenceChase, 1998Chase, 1998
Comment Data last reviewed in December, 1979 Data last reviewed in December, 1979

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
B - John E. Bartmess

Electron affinity determinations

EA (eV) Method Reference Comment
4.230 ± 0.010LPESDesai, Wu, et al., 1996B
4.05 ± 0.13TDEqSrivastava, Uy, et al., 1972EA: 10 kcal > EA(Cl), new data for ΔHf(AlO2) and EA(Cl) used; B

Ionization energy determinations

IE (eV) Method Reference Comment
10.5 ± 1.0EIHo and Burns, 1980LLK
10. ± 1.EIFarber, Srivastava, et al., 1972LLK
10. ± 1.EIFarber, Srivastava, et al., 1971LLK

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:   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

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]

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

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