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

Listing of experimental geometry data for B2F4 (Diboron tetrafluoride)

Rotational Constants (cm-1)
See section I.F.4 to change rotational constant units
A B C
     
Rotational Constants from
Calculated rotational constants for B2F4 (Diboron tetrafluoride).

Point Group D2h

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
rBB 1.720 1 2 1977Dan/Pat:6484
rBF 1.317 1 3 1977Dan/Pat:6484
aBBF 121.4 1 2 5 1977Dan/Pat:6484
aFBF 117.3 3 1 4 1977Dan/Pat:6484
picture of Diboron tetrafluoride

Bond descriptions
Examples: C-C single bond, C=C, double bond, C#C triple bond, C:C aromatic bond
Bond Type Count
B-B 1
B-F 4

Atom x (Å) y (Å) z (Å)
B1 0.0000 0.0000 0.8600
B2 0.0000 0.0000 -0.8600
F3 0.0000 1.1241 1.5462
F4 0.0000 -1.1241 1.5462
F5 0.0000 -1.1241 -1.5462
F6 0.0000 1.1241 -1.5462

Atom - Atom Distances (Å)
  B1 B2 F3 F4 F5 F6
B11.72001.31701.31702.65582.6558
B21.72002.65582.65581.31701.3170
F31.31702.65582.24833.82323.0923
F41.31702.65582.24833.09233.8232
F52.65581.31703.82323.09232.2483
F62.65581.31703.09233.82322.2483

Calculated geometries for B2F4 (Diboron tetrafluoride).


References
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squib reference DOI
1977Dan/Pat:6484 DD Danielson, JV Patton, K Hedberg, "The effect of Temperature on the Sturcture of Gaseous Molecules. 3. Molecular Structure and Barrier to Internal Rotation for Diboron Tetrafluoride" JACS 99:20, 1977, 6484 10.1021/ja00462a002

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