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II.A.3. (XII.A.1.)

Listing of experimental geometry data for AlH2 (aluminum dihydride)

Rotational Constants (cm-1)
See section I.F.4 to change rotational constant units
A B C
13.60000 4.41000 3.33000
Rotational Constants from 1966Herzberg
Calculated rotational constants for AlH2 (aluminum dihydride).

Point Group C2v

Internal coordinates (distances (r) in Å) (angles (a) in degrees) (dihedrals (d) in degrees)
Description Value Connectivity Reference Comment
Atom 1 Atom 2 Atom 3 Atom 4
rAlH 1.590 1 2 1966Herzberg
aHAlH 119 2 1 3 1966Herzberg
picture of aluminum dihydride

Bond descriptions
Examples: C-C single bond, C=C, double bond, C#C triple bond, C:C aromatic bond
Bond Type Count
H-Al 2

Atom x (Å) y (Å) z (Å)
Al1 0.0000 0.0000 0.0000
H2 0.0000 1.3700 0.8070
H3 0.0000 -1.3700 0.8070

Atom - Atom Distances (Å)
  Al1 H2 H3
Al11.59001.5900
H21.59002.7400
H31.59002.7400

Calculated geometries for AlH2 (aluminum dihydride).


References
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squib reference DOI
1966Herzberg Herzberg, G., Electronic spectra and electronic structure of polyatomic molecules,Van Nostrand,New York, 1966  

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


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