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Geometry for BH3PH3 (borane phosphine) 1A1 C3V

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

HF/6-311G*


Point group is C3v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
B1 0.0000 0.0000 -1.4330   -1.4330 0.0000 0.0000
P2 0.0000 0.0000 0.5771   0.5771 0.0000 0.0000
H3 0.0000 -1.1746 -1.7136   -1.7136 -1.0378 -0.5501
H4 -1.0172 0.5873 -1.7136   -1.7136 0.9953 -0.6237
H5 1.0172 0.5873 -1.7136   -1.7136 0.0425 1.1738
H6 0.0000 1.2383 1.2167   1.2167 1.0941 0.5799
H7 -1.0724 -0.6192 1.2167   1.2167 -0.0448 -1.2375
H8 1.0724 -0.6192 1.2167   1.2167 -1.0493 0.6576
Atom - Atom Distances (Å)
  B1 P2 H3 H4 H5 H6 H7 H8
B1 2.0101 1.2077 1.2077 1.2077 2.9248 2.9248 2.9248
P2 2.0101 2.5743 2.5743 2.5743 1.3937 1.3937 1.3937
H3 1.2077 2.5743 2.0345 2.0345 3.7959 3.1694 3.1694
H4 1.2077 2.5743 2.0345 2.0345 3.1694 3.1694 3.7959
H5 1.2077 2.5743 2.0345 2.0345 3.1694 3.7959 3.1694
H6 2.9248 1.3937 3.7959 3.1694 3.1694 2.1448 2.1448
H7 2.9248 1.3937 3.1694 3.1694 3.7959 2.1448 2.1448
H8 2.9248 1.3937 3.1694 3.7959 3.1694 2.1448 2.1448
Maximum atom distance is 3.7959Å between atoms H3 and H6.
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 117.316 B1 P2 H7 117.316
B1 P2 H8 117.316 P2 B1 H3 103.435
P2 B1 H4 103.435 P2 B1 H5 103.435
H3 B1 H4 114.773 H3 B1 H5 114.773
H4 B1 H5 114.773 H6 P2 H7 100.610
H6 P2 H8 100.610 H7 P2 H8 100.610

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