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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

QCISD(T)/aug-cc-pVDZ


Point group is D2d
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
B1 0.0000 0.0000 0.8534   0.8534 0.0000 0.0000
B2 0.0000 0.0000 -0.8534   -0.8534 0.0000 0.0000
Cl3 0.0000 1.5289 1.7426   1.7426 1.5289 0.0000
Cl4 0.0000 -1.5289 1.7426   1.7426 -1.5289 0.0000
Cl5 1.5289 0.0000 -1.7426   -1.7426 0.0000 1.5289
Cl6 -1.5289 0.0000 -1.7426   -1.7426 0.0000 -1.5289
Atom - Atom Distances (Å)
  B1 B2 Cl3 Cl4 Cl5 Cl6
B1 1.7067 1.7687 1.7687 3.0127 3.0127
B2 1.7067 3.0127 3.0127 1.7687 1.7687
Cl3 1.7687 3.0127 3.0578 4.1014 4.1014
Cl4 1.7687 3.0127 3.0578 4.1014 4.1014
Cl5 3.0127 1.7687 4.1014 4.1014 3.0578
Cl6 3.0127 1.7687 4.1014 4.1014 3.0578
Maximum atom distance is 4.1014Å 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 120.183 B1 B2 Cl6 120.183
B2 B1 Cl3 120.183 B2 B1 Cl4 120.183
Cl3 B1 Cl4 119.635 Cl5 B2 Cl6 119.635

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