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Geometry for BH3PH3 (borane phosphine) 1A1 C3V

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

mPW1PW91/3-21G*


Point group is C3v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
B1 0.0000 0.0000 -1.3758   -1.3758 0.0000 0.0000
P2 0.0000 0.0000 0.5522   0.5522 0.0000 0.0000
H3 0.0000 -1.1708 -1.6829   -1.6829 -1.1481 0.2296
H4 -1.0140 0.5854 -1.6829   -1.6829 0.3752 -1.1091
H5 1.0140 0.5854 -1.6829   -1.6829 0.7729 0.8795
H6 0.0000 1.2408 1.2149   1.2149 1.2167 -0.2434
H7 -1.0746 -0.6204 1.2149   1.2149 -0.8191 -0.9321
H8 1.0746 -0.6204 1.2149   1.2149 -0.3976 1.1754
Atom - Atom Distances (Å)
  B1 P2 H3 H4 H5 H6 H7 H8
B1 1.9280 1.2104 1.2104 1.2104 2.8725 2.8725 2.8725
P2 1.9280 2.5232 2.5232 2.5232 1.4067 1.4067 1.4067
H3 1.2104 2.5232 2.0279 2.0279 3.7701 3.1392 3.1392
H4 1.2104 2.5232 2.0279 2.0279 3.1392 3.1392 3.7701
H5 1.2104 2.5232 2.0279 2.0279 3.1392 3.7701 3.1392
H6 2.8725 1.4067 3.7701 3.1392 3.1392 2.1492 2.1492
H7 2.8725 1.4067 3.1392 3.1392 3.7701 2.1492 2.1492
H8 2.8725 1.4067 3.1392 3.7701 3.1392 2.1492 2.1492
Maximum atom distance is 3.7701Å 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 118.103 B1 P2 H7 118.103
B1 P2 H8 118.103 P2 B1 H3 104.697
P2 B1 H4 104.697 P2 B1 H5 104.697
H3 B1 H4 113.794 H3 B1 H5 113.794
H4 B1 H5 113.794 H6 P2 H7 99.622
H6 P2 H8 99.622 H7 P2 H8 99.622

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