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Experimental data for AlH3 (aluminum trihydride)

22 02 02 11 45
INChI INChIKey SMILES IUPAC name
InChI=1S/Al.3H/q-1;;; VCQUXTJZTDLELV-UHFFFAOYSA-N [AlH3-]
InChI=1/Al.3H/q-1;;;/rAlH3/h1H3/q-1 VCQUXTJZTDLELV-ACNMIOQWNA-N [AlH3-]
State Conformation
2A2" D3H
Enthalpy of formation (Hfg), Entropy, Integrated heat capacity (0 K to 298.15 K) (HH), Heat Capacity (Cp)
Property Value Uncertainty units Reference Comment
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

Calculated vibrational frequencies for AlH3 (aluminum trihydride).
Rotational Constants (cm-1) rotational constants
See section I.F.4 to change rotational constant units
A B C reference comment

Calculated rotational constants for AlH3 (aluminum trihydride).
Product of moments of inertia moments of inertia
amu3Å6   0gm3 cm6
Geometric Data
picture of aluminum trihydride

Point Group C3v


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

Cartesians
Atom x (Å) y (Å) z (Å)

Atom - Atom Distances bond lengths
Distances in Å
 

Calculated geometries for AlH3 (aluminum trihydride).

Bond descriptions


Examples: C-C single bond, C=C, double bond, C#C triple bond, C:C aromatic bond
Bond Type Count
H-Al 3

Connectivity
Atom 1 Atom 2
Al1 H2
Al1 H3
Al1 H4
Electronic energy levels (cm-1)
Energy (cm-1) Degeneracy reference description
0 2   2A2"
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 2A2" D3h False           D3h 0 1
1 2 C3v True           C3v 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 AlH3 (aluminum trihydride).
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 2A2" D3h False       D3h 0 1
1 2 C3v True       C3v 1 1

Calculated electric quadrupole moments for AlH3 (aluminum trihydride).

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