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Geometry for B2Cl4 (Diboron tetrachloride) 1A1 D2

1910171554
InChI=1S/B2Cl4/c3-1(4)2(5)6 INChIKey=LCWVIHDXYOFGEG-UHFFFAOYSA-N

CISD/6-311G*


Point group is D2d
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
B1 0.0000 0.0000 0.8476   0.8476 0.0000 0.0000
B2 0.0000 0.0000 -0.8476   -0.8476 0.0000 0.0000
Cl3 0.0000 1.5085 1.7233   1.7233 1.5085 0.0000
Cl4 0.0000 -1.5085 1.7233   1.7233 -1.5085 0.0000
Cl5 1.5085 0.0000 -1.7233   -1.7233 0.0000 1.5085
Cl6 -1.5085 0.0000 -1.7233   -1.7233 0.0000 -1.5085
Atom - Atom Distances (Å)
  B1 B2 Cl3 Cl4 Cl5 Cl6
B1 1.6952 1.7442 1.7442 2.9808 2.9808
B2 1.6952 2.9808 2.9808 1.7442 1.7442
Cl3 1.7442 2.9808 3.0170 4.0534 4.0534
Cl4 1.7442 2.9808 3.0170 4.0534 4.0534
Cl5 2.9808 1.7442 4.0534 4.0534 3.0170
Cl6 2.9808 1.7442 4.0534 4.0534 3.0170
Maximum atom distance is 4.0534Å between atoms Cl3 and Cl5.
picture of Diboron tetrachloride
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
B1 B2 Cl5 120.135 B1 B2 Cl6 120.135
B2 B1 Cl3 120.135 B2 B1 Cl4 120.135
Cl3 B1 Cl4 119.731 Cl5 B2 Cl6 119.731

For information on specific bond angles or dihedrals see the geometry comparison page in section Comparisons > Geometry > Bonds, angles.