Enthalpy of formation (Hfg), Entropy, Integrated heat capacity (0 K to 298.15 K) (HH), Heat Capacity (Cp)

Property	Value	Uncertainty	units	Reference	Comment
Hfg(298.15K)	66.90	8.00	kJ mol-1	JANAF
Hfg(0K)	66.99	8.00	kJ mol-1	JANAF
Entropy (298.15K)	218.38	0.08	J K-1 mol-1	JANAF
Integrated Heat Capacity (0 to 298.15K)	8.79		kJ mol-1	JANAF
Heat Capacity (298.15K)	30.82		J K-1 mol-1	webbook

Information can also be found for this species in the NIST Chemistry Webbook

Vibrational levels (cm^-1)

Mode Number	Symmetry	Frequency (cm-1)	Frequency Reference	Intensity (km mol-1)	Int. unc.	Intensity Reference	Comment
1	Σ	979	2007Iri:389

Detailed diatomic data

ωe	ωexe	ωeye	Be	αe	ZPE	reference
979.4852	7.0121	-0.00206	0.6413856	0.0057796	487.9756	2007Iri:389

vibrational zero-point energy: 489.7 cm^-1
Calculated vibrational frequencies for AlO^- (Aluminum monoxide anion).

Rotational Constants (cm^-1)
See section I.F.4 to change rotational constant units

A	B	C	reference	comment
	0.64139		2007Iri:389

Calculated rotational constants for AlO^- (Aluminum monoxide anion).

Product of moments of inertia
26.28314	amu Å2		4.364487E-39	gm cm2

Geometric Data

Point Group C_∞v

Internal coordinates
distances (r) in Å, angles (a) in degrees, dihedrals (d) in degrees

Description	Value	unc.	Connectivity				Reference	Comment
			Atom 1	Atom 2	Atom 3	Atom 4
rAlO	1.618		1	2			1979HUB/HER

Cartesians

Atom	x (Å)	y (Å)	z (Å)
Al1	0.0000	0.0000	0.0000
O2	0.0000	0.0000	1.6179

Atom - Atom Distances
Distances in Å

	Al1	O2
Al1		1.6179
O2	1.6179

Calculated geometries for AlO^- (Aluminum monoxide anion).

Bond descriptions
Examples: C-C single bond, C=C, double bond, C#C triple bond, C:C aromatic bond

Bond Type	Count
O-Al	1

Connectivity

Atom 1	Atom 2
Al1	O2

Electronic energy levels (cm^-1)

Energy (cm-1)	Degeneracy	reference	description
0	2	1979HUB/HER	2Σ
5406.7	2	Gurvich

Ionization Energies (eV)

Ionization Energy	I.E. unc.	vertical I.E.	v.I.E. unc.	Electron Affinity	E.A. unc.	reference
9.460	0.060			2.600	0.010	webbook

Dipole, Quadrupole and Polarizability
Electric dipole moment
Calculated electric dipole moments for AlO^- (Aluminum monoxide anion).
Electric quadrupole moment
Calculated electric quadrupole moments for AlO^- (Aluminum monoxide anion).

References
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squib	reference	DOI
1979HUB/HER	Huber, K.P.; Herzberg, G., Molecular Spectra and Molecular Structure. IV. Constants of Diatomic Molecules,, Van Nostrand Reinhold Co., 1979
2007Iri:389	KK Irikura "Experimental Vibrational Zero-Point Energies: Diatomic Molecules" J. Phys. Chem. Ref. Data 36(2), 389, 2007	10.1063/1.2436891
Gurvich	Gurvich, L.V.; Veyts, I. V.; Alcock, C. B., Thermodynamic Properties of Individual Substances, Fouth Edition, Hemisphere Pub. Co., New York, 1989	10.1351/pac198961061027
JANAF	Chase, M.W., Jr.; Davies, C.A.; Downey, J.R., Jr.; Frurip, D.J.; McDonald, R.A.; Syverud, A.N., JANAF Thermochemical Tables (Third Edition), J. Phys. Chem. Ref. Data,Suppl. 1, 1985, 14, 1.
webbook	NIST Chemistry Webbook (http://webbook.nist.gov/chemistry)

Got a better number? Please email us at cccbdb@nist.gov