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Geometry for BH3PH3 (borane phosphine) 1A1 C3V

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

CISD/6-31G*


Point group is C3v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
B1 0.0000 0.0000 -1.4020   -1.4020 0.0000 0.0000
P2 0.0000 0.0000 0.5622   0.5622 0.0000 0.0000
H3 0.0000 -1.1732 -1.6901   -1.6901 -1.1732 0.0000
H4 -1.0160 0.5866 -1.6901   -1.6901 0.5866 -1.0160
H5 1.0160 0.5866 -1.6901   -1.6901 0.5866 1.0160
H6 0.0000 1.2434 1.2156   1.2156 1.2434 0.0000
H7 -1.0768 -0.6217 1.2156   1.2156 -0.6217 -1.0768
H8 1.0768 -0.6217 1.2156   1.2156 -0.6217 1.0768
Atom - Atom Distances (Å)
  B1 P2 H3 H4 H5 H6 H7 H8
B1 1.9642 1.2080 1.2080 1.2080 2.8979 2.8979 2.8979
P2 1.9642 2.5395 2.5395 2.5395 1.4046 1.4046 1.4046
H3 1.2080 2.5395 2.0320 2.0320 3.7793 3.1475 3.1475
H4 1.2080 2.5395 2.0320 2.0320 3.1475 3.1475 3.7793
H5 1.2080 2.5395 2.0320 2.0320 3.1475 3.7793 3.1475
H6 2.8979 1.4046 3.7793 3.1475 3.1475 2.1536 2.1536
H7 2.8979 1.4046 3.1475 3.1475 3.7793 2.1536 2.1536
H8 2.8979 1.4046 3.1475 3.7793 3.1475 2.1536 2.1536
Maximum atom distance is 3.7793Å 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 117.721 B1 P2 H7 117.721
B1 P2 H8 117.721 P2 B1 H3 103.795
P2 B1 H4 103.795 P2 B1 H5 103.795
H3 B1 H4 114.501 H3 B1 H5 114.501
H4 B1 H5 114.501 H6 P2 H7 100.103
H6 P2 H8 100.103 H7 P2 H8 100.103

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