return to home page Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
You are here: Experimental > One molecule all properties

Experimental data for AlH2+ (aluminum dihydride cation)

22 02 02 11 45
INChI INChIKey SMILES IUPAC name
InChI=1S/Al.2H AYENPGKIIRJZBT-UHFFFAOYSA-N [AlH2]
State Conformation
2A1 C2V
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 276.77 20.00 kJ mol-1 Gurvich limited experimental data. Theory used by Gurvich.
Hfg(0K) enthalpy of formation 279.69 20.00 kJ mol-1 Gurvich limited experimental data. Theory used by Gurvich.
Entropy (298.15K) entropy 213.31   J K-1 mol-1 Gurvich limited experimental data. Theory used by Gurvich.
Integrated Heat Capacity (0 to 298.15K) integrated heat capacity 10.09   kJ mol-1 Gurvich limited experimental data. Theory used by Gurvich.
Heat Capacity (298.15K) heat capacity 35.77   J K-1 mol-1 Gurvich limited experimental data. Theory used by 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 A1 1770   VEEL5      
2 A1 760   VEEL5      
3 B2 1807   VEEL5      

vibrational zero-point energy: 2168.3 cm-1 (from fundamental vibrations)
Calculated vibrational frequencies for AlH2+ (aluminum dihydride cation).
Rotational Constants (cm-1) rotational constants
See section I.F.4 to change rotational constant units
A B C reference comment
13.60000 4.41000 3.33000 1966Herzberg

Calculated rotational constants for AlH2+ (aluminum dihydride cation).
Product of moments of inertia moments of inertia
23.98655amu3Å6   1.09833755443314E-118gm3 cm6
Geometric Data
picture of aluminum dihydride cation

Point Group C2v


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 1.590   1 2 1966Herzberg
aHAlH 119 2 1 3 1966Herzberg
An error occurred on the server when processing the URL. Please contact the system administrator.

If you are the system administrator please click here to find out more about this error.