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Release 22May 2022
NIST Standard Reference Database 101
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II.A.3. (XII.A.1.)

Listing of experimental geometry data for B2Cl4 (Diboron tetrachloride)

Rotational Constants (cm-1)


See section I.F.4 to change rotational constant units
A B C
     
Rotational Constants from
Calculated rotational constants for B2Cl4 (Diboron tetrachloride).

Point Group C1

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
rBCl 1.750 1 3 1969Rya/Hed:4986
rBB 1.702 1 2 1969Rya/Hed:4986
aClBCl 118.65 3 1 4 1969Rya/Hed:4986
aBBCl 120.675 1 2 5 1969Rya/Hed:4986 by symmetry
picture of Diboron tetrachloride

Bond descriptions


Examples: C-C single bond, C=C, double bond, C#C triple bond, C:C aromatic bond
Bond Type Count
B-B 1
B-Cl 4

Atom x (Å) y (Å) z (Å)
B1 0.0000 0.0000 0.8510
B2 0.0000 0.0000 -0.8510
Cl3 0.0000 1.5140 1.7286
Cl4 0.0000 -1.5140 1.7286
Cl5 1.5140 0.0000 -1.7286
Cl6 -1.5140 0.0000 -1.7286

Atom - Atom Distances (Å)

  B1 B2 Cl3 Cl4 Cl5 Cl6
B11.70201.75001.75002.99112.9911
B21.70202.99112.99111.75001.7500
Cl31.75002.99113.02804.06664.0666
Cl41.75002.99113.02804.06664.0666
Cl52.99111.75004.06664.06663.0280
Cl62.99111.75004.06664.06663.0280

Calculated geometries for B2Cl4 (Diboron tetrachloride).
References
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squib reference DOI
1969Rya/Hed:4986 Ryan, Hedberg, Effect of Temperature on the Structure of Gaseous Molecules.* II. An Electron-Diffraction Investigation of the Molecular Structures of B2Cl4 and SiCl4. The Potential Function for Internal Rotation in B2Cl4., J. Chem. Phys., Vol. 50, #11, pgs. 4986-4995 10.1063/1.1670995

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