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

Listing of experimental geometry data for BHCl2 (Borane, dichloro-)

Rotational Constants (cm-1)
See section I.F.4 to change rotational constant units
A B C
     
Rotational Constants from
Calculated rotational constants for BHCl2 (Borane, dichloro-).

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
rBH 1.130 1 2 1976Hellwege(II/7)
rBCl 1.750 1 3 1976Hellwege(II/7) !assumed
aClBCl 119.7 3 1 4 1976Hellwege(II/7)
aHBCl 120.15 2 1 3 1976Hellwege(II/7) by symmetry
picture of Borane, dichloro-

Bond descriptions
Examples: C-C single bond, C=C, double bond, C#C triple bond, C:C aromatic bond
Bond Type Count
H-B 1
B-Cl 2

Atom x (Å) y (Å) z (Å)
B1 0.0000 0.0000 0.7189
H2 0.0000 0.0000 1.8489
Cl3 0.0000 1.5132 -0.1601
Cl4 0.0000 -1.5132 -0.1601

Atom - Atom Distances (Å)
  B1 H2 Cl3 Cl4
B11.13001.75001.7500
H21.13002.51512.5151
Cl31.75002.51513.0265
Cl41.75002.51513.0265

Calculated geometries for BHCl2 (Borane, dichloro-).


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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