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Experimental data for AlH (aluminum monohydride)

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Other names
Aluminum hydride;
INChI INChIKey SMILES IUPAC name
InChI=1S/Al.H SPRIOUNJHPCKPV-UHFFFAOYSA-N [AlH]
State Conformation
1Σ C*V
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) enthalpy of formation 249.25 3.50 kJ mol-1 Gurvich
Hfg(0K) enthalpy of formation 249.36 3.50 kJ mol-1 Gurvich
Entropy (298.15K) entropy 187.86 0.50 J K-1 mol-1 Gurvich
Integrated Heat Capacity (0 to 298.15K) integrated heat capacity 8.67   kJ mol-1 Gurvich
Heat Capacity (298.15K) heat capacity 29.37   J K-1 mol-1 Gurvich
Information can also be found for this species in the NIST Chemistry Webbook
Vibrational levels (cm-1) vibrations
Mode Number Symmetry Frequency Intensity Comment Description
Fundamental(cm-1) Harmonic(cm-1) Reference (km mol-1) unc. Reference
1 Σ 1625 1682 2007Iri:389      

Detailed diatomic data
ωe ωexe ωeye Be αe ZPE reference
1682.375 29.05098 0.247615 6.393784 0.1870527 835.0239 2007Iri:389

vibrational zero-point energy: 812.5 cm-1 (from fundamental vibrations)
Calculated vibrational frequencies for AlH (aluminum monohydride).
Rotational Constants (cm-1) rotational constants
See section I.F.4 to change rotational constant units
A B C reference comment
  6.39378   2007Iri:389

Calculated rotational constants for AlH (aluminum monohydride).
Product of moments of inertia moments of inertia
2.636565amu Å2   4.378189E-40gm cm2
Geometric Data
picture of aluminum monohydride

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
rAlH 1.648   1 2 1979HUB/HER re

Cartesians
Atom x (Å) y (Å) z (Å)
Al1 0.0000 0.0000 0.0000
H2 0.0000 0.0000 1.6478

Atom - Atom Distances bond lengths
Distances in Å
  Al1 H2
Al1   1.6478
H2 1.6478  

Calculated geometries for AlH (aluminum monohydride).

Bond descriptions


Examples: C-C single bond, C=C, double bond, C#C triple bond, C:C aromatic bond
Bond Type Count
H-Al 1

Connectivity
Atom 1 Atom 2
Al1 H2
Electronic energy levels (cm-1)
Energy (cm-1) Degeneracy reference description
0 1 1979HUB/HER 1Σ
Dipole, Quadrupole and Polarizability
Electric dipole moment dipole
State Config State description Conf description Exp. min. Dipole (Debye) Reference comment Point Group Components
x y z total dipole quadrupole
1 1 1Σ C∞v True           C∞v 1 1
Experimental dipole measurement abbreviations: MW microwave; DT Dielectric with Temperature variation; DR Indirect (usually an upper limit); MB Molecular beam
Calculated electric dipole moments for AlH (aluminum monohydride).
Electric quadrupole moment quadrupole
State Config State description Conf description Exp. min. Quadrupole (D Å) Reference comment Point Group Components
xx yy zz dipole quadrupole
1 1 1Σ C∞v True       C∞v 1 1

Calculated electric quadrupole moments for AlH (aluminum monohydride).

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 10.1007/978-1-4757-0961-2
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  

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