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

Listing of experimental geometry data for Al2Cl6 (Aluminum, di--chlorotetrachlorodi-)

No experimental rotational constants available.
Calculated rotational constants for Al2Cl6 (Aluminum, di--chlorotetrachlorodi-).

Point Group D2h

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 2.040 1 3 1976Hellwege(II/7) ED
rAlCl 2.240 1 5 1976Hellwege(II/7)
aClAlCl 122 5 1 6 1976Hellwege(II/7)
aClAlCl 87 3 1 4
picture of Aluminum, di--chlorotetrachlorodi-

Bond descriptions
Examples: C-C single bond, C=C, double bond, C#C triple bond, C:C aromatic bond
Bond Type Count
Al-Cl 8

Atom x (Å) y (Å) z (Å)
Al1 1.6248 0.0000 0.0000
Al2 -1.6248 0.0000 0.0000
Cl3 0.0000 0.0000 1.5419
Cl4 0.0000 0.0000 -1.5419
Cl5 2.6138 1.7842 0.0000
Cl6 2.6138 -1.7842 0.0000
Cl7 -2.6138 1.7842 0.0000
Cl8 -2.6138 -1.7842 0.0000

Atom - Atom Distances (Å)
  Al1 Al2 Cl3 Cl4 Cl5 Cl6 Cl7 Cl8
Al13.24962.24002.24002.04002.04004.59884.5988
Al23.24962.24002.24004.59884.59882.04002.0400
Cl32.24002.24003.08383.52043.52043.52043.5204
Cl42.24002.24003.08383.52043.52043.52043.5204
Cl52.04004.59883.52043.52043.56845.22766.3294
Cl62.04004.59883.52043.52043.56846.32945.2276
Cl74.59882.04003.52043.52045.22766.32943.5684
Cl84.59882.04003.52043.52046.32945.22763.5684

Calculated geometries for Al2Cl6 (Aluminum, di--chlorotetrachlorodi-).


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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