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II.A.3. (XII.A.1.)

Listing of experimental geometry data for BHF2 (Difluoroborane)

Rotational Constants (cm-1)
See section I.F.4 to change rotational constant units
A B C
2.48487 0.35014 0.30627
Rotational Constants from 1984Wes/Lew:227
Calculated rotational constants for BHF2 (Difluoroborane).

Point Group C2v

Internal coordinates (distances (r) in Å) (angles (a) in degrees) (dihedrals (d) in degrees)
Description Value Connectivity Reference Comment
Atom 1 Atom 2 Atom 3 Atom 4
rBH 1.189 1 2 1976Hellwege(II/7)
rBF 1.311 1 3 1976Hellwege(II/7)
aFBF 118.3 3 1 4 1976Hellwege(II/7)
aHBF 120.85 2 1 3 1976Hellwege(II/7) by symmetry
picture of Difluoroborane

Bond descriptions
Examples: C-C single bond, C=C, double bond, C#C triple bond, C:C aromatic bond
Bond Type Count
H-B 1
B-F 2

Atom x (Å) y (Å) z (Å)
B1 0.0000 0.0000 0.4547
H2 0.0000 0.0000 1.6437
F3 0.0000 1.1255 -0.2176
F4 0.0000 -1.1255 -0.2176

Atom - Atom Distances (Å)
  B1 H2 F3 F4
B11.18901.31101.3110
H21.18902.17512.1751
F31.31102.17512.2510
F41.31102.17512.2510

Calculated geometries for BHF2 (Difluoroborane).


References
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squib reference DOI
1976Hellwege(II/7) Hellwege, KH and AM Hellwege (ed.). Landolt-Bornstein: Group II: Atomic and Molecular Physics Volume 7: Structure Data of Free Polyatomic Molecules. Springer-Verlag. Berlin. 1976.  
1984Wes/Lew:227 Westwood, N.P.C.; Lewis-Bevan, W.; Gerry, M.C.L. "The Microwave Spectrum and Centrifugal Distortion Constants of Difluoroborane, HBF2." Journal of Molecular Spectroscopy. 106, 227-234 (1984) 10.1016/0022-2852(84)90095-X

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