National Institute of Standards and Technology
Computational Chemistry Comparison and Benchmark DataBase
Release 22May 2022
NIST Standard Reference Database 101
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IIExperimental data
IIICalculated data
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XIXIndex of properties
XXH-bond dimers
XXIOddities

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

Listing of experimental geometry data for AlCl3 (Aluminum trichloride)

Rotational Constants (cm-1)


See section I.F.4 to change rotational constant units
A B C
     
Rotational Constants from
Calculated rotational constants for AlCl3 (Aluminum trichloride).

Point Group D3h

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
rAlCl 2.060 1 2 1976Hellwege(II/7)
picture of Aluminum trichloride

Bond descriptions


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

Atom x (Å) y (Å) z (Å)
Al1 0.0000 0.0000 0.0000
Cl2 0.0000 2.0600 0.0000
Cl3 1.7840 -1.0300 0.0000
Cl4 -1.7840 -1.0300 0.0000

Atom - Atom Distances (Å)

  Al1 Cl2 Cl3 Cl4
Al12.06002.06002.0600
Cl22.06003.56803.5680
Cl32.06003.56803.5680
Cl42.06003.56803.5680

Calculated geometries for AlCl3 (Aluminum trichloride).
References
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squib reference DOI
1976Hellwege(II/7) Hellwege, KH and AM Hellwege (ed.). Landolt-Bornstein: Group II: Atomic and Molecular Physics Volume 7: Structure Data of Free Polyatomic Molecules. Springer-Verlag. Berlin. 1976.  

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