Listing of experimental geometry data for BF3 (Borane, trifluoro-)
Rotational Constants (cm-1)
See section I.F.4 to change rotational constant units
Rotational Constants from
Calculated rotational constants
for BF3 (Borane, trifluoro-).
Point Group D3h
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 |
| rBF |
1.307 |
1 |
2 |
|
|
1998Kuc |
re value |
| aFBF |
120 |
2 |
1 |
3 |
|
1998Kuc |
|
Bond descriptions
Examples: C-C single bond, C=C, double bond, C#C triple bond, C:C aromatic bond
| Atom |
x (Å) |
y (Å) |
z (Å) |
| B1
| 0.0000
| 0.0000
| 0.0000
|
| F2
| 0.0000
| 1.3070
| 0.0000
|
| F3
| 1.1319
| -0.6535
| 0.0000
|
| F4
| -1.1319
| -0.6535
| 0.0000
|
Atom - Atom Distances (Å)
| |
B1 |
F2 |
F3 |
F4 |
| B1 | | 1.3070 | 1.3070 | 1.3070 |
|---|
| F2 | 1.3070 | | 2.2638 | 2.2638 |
|---|
| F3 | 1.3070 | 2.2638 | | 2.2638 |
|---|
| F4 | 1.3070 | 2.2638 | 2.2638 | |
|---|
Calculated geometries
for BF3 (Borane, trifluoro-).
References
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| squib |
reference |
DOI |
| 1998Kuc |
K Kuchitsu(ed) "Structure of Free Polyatomic Molecules - Basic Data" Springer, Berlin, 1998 |
|
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