Dialuminum monoxide

Formula: Al₂O
Molecular weight: 69.9625
CAS Registry Number: 12004-36-3
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Gas phase thermochemistry data

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Quantity	Value	Units	Method	Reference	Comment
Δ_fH°_gas	-34.701	kcal/mol	Review	Chase, 1998	Data last reviewed in December, 1979
Quantity	Value	Units	Method	Reference	Comment
S°_{gas,1 bar}	60.287	cal/mol*K	Review	Chase, 1998	Data last reviewed in December, 1979

Gas Phase Heat Capacity (Shomate Equation)

C_p° = 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
C_p = 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 6000.
A	14.09900
B	0.703994
C	-0.205933
D	0.020352
E	-0.173347
F	-39.51410
G	76.17340
H	-34.70010
Reference	Chase, 1998
Comment	Data last reviewed in December, 1979

Gas phase ion energetics data

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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 ± 0.2	EI	Ho and Burns, 1980	LLK
8.0 ± 0.5	EI	Smoes, Drowart, et al., 1976	LLK
8. ± 1.	EI	Paule, 1976	LLK
7.7 ± 0.5	EI	Thompson, 1973	LLK
7.7 ± 0.2	EI	Stearns and Kohl, 1973	LLK
8.20 ± 0.15	EI	Hildenbrand, 1973	LLK
9. ± 1.	EI	Farber, Uy, et al., 1972	LLK
9. ± 1.	EI	Farber, Srivastava, et al., 1972	LLK
7.9 ± 0.3	EI	DeMaria, Gingerich, et al., 1968	RDSH
8.5 ± 0.5	EI	Blackburn, Buchler, et al., 1966	RDSH
7.7 ± 0.5	EI	Drowart, DeMaria, et al., 1960	RDSH

Appearance energy determinations

Ion	AE (eV)	Other Products	Method	Reference	Comment
AlO⁺	15.1 ± 0.3	Al	EI	Stearns and Kohl, 1973	LLK
Al₂⁺	15.2 ± 0.5	O	EI	Stearns and Kohl, 1973	LLK

Vibrational and/or electronic energy levels

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Data compiled by: Marilyn E. Jacox

State: ?

Energy (cm^-1)	Med.	λ_min (nm)	λ_max (nm)	References


T_x	Ar	210	212	Abe and Kolb, 1983

State: ?

Energy (cm^-1)	Med.	λ_min (nm)	λ_max (nm)	References


T_x	Kr	202	217	Abe and Kolb, 1983

State: ?

Energy (cm^-1)	Med.	λ_min (nm)	λ_max (nm)	References


T_x	Xe	207	225	Abe and Kolb, 1983

State: B

Energy (cm^-1)	Med.	Transition	λ_min (nm)	λ_max (nm)	References


T_o = 37121 ± 15	Ar	C-X	263	270	Douglas, Hauge, et al., 1983
T_o = 36444 ± 15	Kr	C-X	267	283	Douglas, Hauge, et al., 1982
					Douglas, Hauge, et al., 1983, 2
					Douglas, Hauge, et al., 1983
					Hebert, Schriever, et al., 1992
	gas	B-X	248	262	Cai, Carter, et al., 1991

No.	Approximate type of mode	cm^-1	Med.	Method	References


1	Sym. stretch	451 ± 15	Ar	AB	Douglas, Hauge, et al., 1983
1	Sym. stretch	454 ± 15	Kr	AB	Douglas, Hauge, et al., 1982 Douglas, Hauge, et al., 1983, 2 Douglas, Hauge, et al., 1983
2	Bend	156 ± 15	Ar	AB	Douglas, Hauge, et al., 1983
2	Bend	186 ± 15	Kr	AB	Douglas, Hauge, et al., 1982 Douglas, Hauge, et al., 1983, 2 Douglas, Hauge, et al., 1983

State: A

Energy (cm^-1)	Med.	Transition	λ_min (nm)	λ_max (nm)	References


T_o = 23286 ± 15	Kr	A-X	415	430	Douglas, Hauge, et al., 1983

No.	Approximate type of mode	cm^-1	Med.	Method	References


1	Sym. stretch	482 ± 15	Kr	AB	Douglas, Hauge, et al., 1983
2	Bend	133 ± 15	Kr	AB	Douglas, Hauge, et al., 1983

State: X

Vib. sym.	No.	Approximate type of mode	cm^-1	Med.	Method	References


Σ_g⁺	1	Sym. stretch	525	gas	LF	Cai, Carter, et al., 1991
	1	Sym. stretch	472	Ar	Ra	Ovchinnikov, Serebrennikov, et al., 1985 Rozhanskii, Serebrennikov, et al., 1990
	1	Sym. stretch	471 ± 15	Kr	LF	Douglas, Hauge, et al., 1983
	1	Sym. stretch	475	N₂	Ra	Rozhanskii, Serebrennikov, et al., 1990
Π_u	2	Bend	99	gas	LF	Cai, Carter, et al., 1991
Σ_u⁺	3	Asym. stretch	992	gas	LF	Cai, Carter, et al., 1991
	3	Asym. stretch	992.8	Ar	IR	Linevsky, White, et al., 1964 Makowiecki, Lynch, et al., 1971 Lynch, Zehe, et al., 1974 Finn, Gruen, et al., 1976 Andrews, Burkholder, et al., 1992
	3	Asym. stretch	989.4	Kr	IR	Linevsky, White, et al., 1964 Makowiecki, Lynch, et al., 1971
	3	Asym. stretch	991	N₂	IR	Sonchik, Andrews, et al., 1983 Andrews, Burkholder, et al., 1992

Additional references: Jacox, 1994, page 63

Notes

Energy separation between the v = 0 levels of the excited and electronic ground states.

Energy separation between the band maximum of the excited electronic state and the v = 0 level of the ground state.

References

Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics data, Vibrational and/or electronic energy levels, Notes

Chase, 1998
Chase, M.W., Jr., NIST-JANAF Themochemical Tables, Fourth Edition, J. Phys. Chem. Ref. Data, Monograph 9, 1998, 1-1951. [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]

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]

Paule, 1976
Paule, R.C., Mass spectrometric studies of Al₂O₃ vaporization processes, High Temp. Sci., 1976, 8, 257. [all data]

Thompson, 1973
Thompson, K.R., Mass spectrometric determination of the atomization energies of AlSiO(g) and Al₂O(g), High Temp. Sci., 1973, 5, 62. [all data]

Stearns and Kohl, 1973
Stearns, C.A.; Kohl, F.J., Mass spectrometric determination of the dissociation energies of gaseous Al₂, AlSi, and AlSiO, High Temp. Sci., 1973, 5, 113. [all data]

Hildenbrand, 1973
Hildenbrand, D.L., Dissociation energies of the molecules AlO and Al₂O, Chem. Phys. Lett., 1973, 20, 127. [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]

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]

DeMaria, Gingerich, et al., 1968
DeMaria, G.; Gingerich, K.A.; Piacente, V., Vaporization of aluminum phosphide, J. Chem. Phys., 1968, 49, 4705. [all data]

Blackburn, Buchler, et al., 1966
Blackburn, P.E.; Buchler, A.; Stauffer, J.L., Thermodynamics of vaporization in the aluminum oxideboron oxide system, J. Phys. Chem., 1966, 70, 2469. [all data]

Drowart, DeMaria, et al., 1960
Drowart, J.; DeMaria, G.; Burns, R.P.; Inghram, M.G., Thermodynamic study of Al₂O₃ using a mass spectrometer, J. Chem. Phys., 1960, 32, 1366. [all data]

Abe and Kolb, 1983
Abe, H.; Kolb, D.M., Optical Spectra of Matrix-Isolated Aluminium, Ber. Bunsenges. Phys. Chem., 1983, 87, 6, 523, https://doi.org/10.1002/bbpc.19830870613 . [all data]

Douglas, Hauge, et al., 1983
Douglas, M.A.; Hauge, R.H.; Margrave, J.L., High Temp. Sci., 1983, 16, 35. [all data]

Douglas, Hauge, et al., 1982
Douglas, M.A.; Hauge, R.H.; Margrave, J.L., ACS Symposium Ser. 179, American Chemical Society, Washington, D. C., 1982. [all data]

Douglas, Hauge, et al., 1983, 2
Douglas, M.A.; Hauge, R.H.; Margrave, J.L., J. Chem. Soc., 1983, Faraday Trans. 1 79, 1533. [all data]

Hebert, Schriever, et al., 1992
Hebert, T.; Schriever, U.; Kolb, D.M., VIS-VUV spectroscopic study of the reaction between Al and N2O isolated in solid krypton, Chem. Phys. Lett., 1992, 200, 3, 258, https://doi.org/10.1016/0009-2614(92)80007-X . [all data]

Cai, Carter, et al., 1991
Cai, M.; Carter, C.C.; Miller, T.A.; Bondybey, V.E., Fluorescence excitation and resolved emission spectra of supersonically cooled Al2O, J. Chem. Phys., 1991, 95, 1, 73, https://doi.org/10.1063/1.461427 . [all data]

Ovchinnikov, Serebrennikov, et al., 1985
Ovchinnikov, I.V.; Serebrennikov, L.V.; Mal'tsev, A.A., Zh. Fiz. Khim., 1985, 59, 1558. [all data]

Rozhanskii, Serebrennikov, et al., 1990
Rozhanskii, I.L.; Serebrennikov, L.V.; Shevel'kov, A.F., Zh. Fiz. Khim., 1990, 64, 521. [all data]

Linevsky, White, et al., 1964
Linevsky, M.J.; White, D.; Mann, D.E., Infrared Spectrum and Structure of Gaseous Al2O, J. Chem. Phys., 1964, 41, 2, 542, https://doi.org/10.1063/1.1725905 . [all data]

Makowiecki, Lynch, et al., 1971
Makowiecki, D.M.; Lynch, D.A.; Carlson, K.D., Infrared spectra of the aluminum family suboxides, J. Phys. Chem., 1971, 75, 1963. [all data]

Lynch, Zehe, et al., 1974
Lynch, D.A., Jr.; Zehe, M.J.; Carlson, K.D., Reinvestigation of the symmetric stretching mode of matrix-isolated dialuminum monoxide, J. Phys. Chem., 1974, 78, 3, 236, https://doi.org/10.1021/j100596a009 . [all data]

Finn, Gruen, et al., 1976
Finn, P.A.; Gruen, D.M.; Page, D.L., Advan. Chem. Ser. 158, Amer. Chem. Soc., Washington, D. C., 1976. [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]

Sonchik, Andrews, et al., 1983
Sonchik, S.M.; Andrews, L.; Carlson, K.D., Matrix reactions of molecular oxygen and ozone with aluminum atoms, J. Phys. Chem., 1983, 87, 11, 2004, https://doi.org/10.1021/j100234a033 . [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]

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:

AE Appearance energy

S°_{gas,1 bar} Entropy of gas at standard conditions (1 bar)

Δ_fH°_gas Enthalpy of formation of gas at standard conditions
Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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AE	Appearance energy
S°_{gas,1 bar}	Entropy of gas at standard conditions (1 bar)
Δ_fH°_gas	Enthalpy of formation of gas at standard conditions