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Geometry for BH3PH3 (borane phosphine) 1A1 C3V

1910171554
InChI=1S/BH6P/c1-2/h1-2H3 INChIKey=

wB97X-D/3-21G*


Point group is C3v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
B1 0.0000 0.0000 -1.3834   0.0000 -1.3834 0.0000
P2 0.0000 0.0000 0.5567   0.0000 0.5567 0.0000
H3 0.0000 -1.1719 -1.6896   -1.1719 -1.6896 0.0000
H4 -1.0149 0.5859 -1.6896   0.5859 -1.6896 -1.0149
H5 1.0149 0.5859 -1.6896   0.5859 -1.6896 1.0149
H6 0.0000 1.2419 1.2117   1.2419 1.2117 0.0000
H7 -1.0755 -0.6209 1.2117   -0.6209 1.2117 -1.0755
H8 1.0755 -0.6209 1.2117   -0.6209 1.2117 1.0755
Atom - Atom Distances (Å)
  B1 P2 H3 H4 H5 H6 H7 H8
B1 1.9402 1.2112 1.2112 1.2112 2.8769 2.8769 2.8769
P2 1.9402 2.5337 2.5337 2.5337 1.4040 1.4040 1.4040
H3 1.2112 2.5337 2.0298 2.0298 3.7741 3.1429 3.1429
H4 1.2112 2.5337 2.0298 2.0298 3.1429 3.1429 3.7741
H5 1.2112 2.5337 2.0298 2.0298 3.1429 3.7741 3.1429
H6 2.8769 1.4040 3.7741 3.1429 3.1429 2.1510 2.1510
H7 2.8769 1.4040 3.1429 3.1429 3.7741 2.1510 2.1510
H8 2.8769 1.4040 3.1429 3.7741 3.1429 2.1510 2.1510
Maximum atom distance is 3.7741Å between atoms H4 and H8.
picture of borane phosphine
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
B1 P2 H6 117.805 B1 P2 H7 117.805
B1 P2 H8 117.805 P2 B1 H3 104.643
P2 B1 H4 104.643 P2 B1 H5 104.643
H3 B1 H4 113.838 H3 B1 H5 113.838
H4 B1 H5 113.838 H6 P2 H7 99.999
H6 P2 H8 99.999 H7 P2 H8 99.999

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