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Geometry for BH3PH3 (borane phosphine) 1A1 C3V

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

QCISD/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 -1.4880   0.0000 -1.4880 0.0000
P2 0.0000 0.0000 0.5952   0.0000 0.5952 0.0000
H3 0.0000 -1.1864 -1.7569   -1.1864 -1.7569 0.0000
H4 -1.0274 0.5932 -1.7569   0.5932 -1.7569 -1.0274
H5 1.0274 0.5932 -1.7569   0.5932 -1.7569 1.0274
H6 0.0000 1.2740 1.2612   1.2740 1.2612 0.0000
H7 -1.1033 -0.6370 1.2612   -0.6370 1.2612 -1.1033
H8 1.1033 -0.6370 1.2612   -0.6370 1.2612 1.1033
Atom - Atom Distances (Å)
  B1 P2 H3 H4 H5 H6 H7 H8
B1 2.0832 1.2165 1.2165 1.2165 3.0301 3.0301 3.0301
P2 2.0832 2.6343 2.6343 2.6343 1.4376 1.4376 1.4376
H3 1.2165 2.6343 2.0548 2.0548 3.8939 3.2601 3.2601
H4 1.2165 2.6343 2.0548 2.0548 3.2601 3.2601 3.8939
H5 1.2165 2.6343 2.0548 2.0548 3.2601 3.8939 3.2601
H6 3.0301 1.4376 3.8939 3.2601 3.2601 2.2066 2.2066
H7 3.0301 1.4376 3.2601 3.2601 3.8939 2.2066 2.2066
H8 3.0301 1.4376 3.2601 3.8939 3.2601 2.2066 2.2066
Maximum atom distance is 3.8939Å 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 117.601 B1 P2 H7 117.601
B1 P2 H8 117.601 P2 B1 H3 102.771
P2 B1 H4 102.771 P2 B1 H5 102.771
H3 B1 H4 115.259 H3 B1 H5 115.259
H4 B1 H5 115.259 H6 P2 H7 100.254
H6 P2 H8 100.254 H7 P2 H8 100.254

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