Listing of experimental geometry data for BrF5 (bromine pentafluoride)
Rotational Constants (cm-1)
See section I.F.4 to change rotational constant units
Rotational Constants from
Gurvich
Calculated rotational constants
for BrF5 (bromine pentafluoride).
Point Group C4v
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 |
| rFBr |
1.689 |
1 |
2 |
|
|
Gurvich |
axial |
| rFBr |
1.774 |
1 |
3 |
|
|
Gurvich |
equitorial |
| aFBrF |
84.8 |
2 |
1 |
3 |
|
Gurvich |
axial to equitorial |
| aFBrF |
89.53 |
3 |
1 |
4 |
|
Gurvich |
equitorial to equitorial |
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) |
| Br1
| 0.0000
| 0.0000
| 0.2624
|
| F2
| 0.0000
| 0.0000
| -1.4266
|
| F3
| 0.0000
| 1.7667
| 0.1016
|
| F4
| -1.7667
| 0.0000
| 0.1016
|
| F5
| 0.0000
| -1.7667
| 0.1016
|
| F6
| 1.7667
| 0.0000
| 0.1016
|
Atom - Atom Distances (Å)
| |
Br1 |
F2 |
F3 |
F4 |
F5 |
F6 |
| Br1 | | 1.6890 | 1.7740 | 1.7740 | 1.7740 | 1.7740 |
|---|
| F2 | 1.6890 | | 2.3360 | 2.3360 | 2.3360 | 2.3360 |
|---|
| F3 | 1.7740 | 2.3360 | | 2.4985 | 3.5334 | 2.4985 |
|---|
| F4 | 1.7740 | 2.3360 | 2.4985 | | 2.4985 | 3.5334 |
|---|
| F5 | 1.7740 | 2.3360 | 3.5334 | 2.4985 | | 2.4985 |
|---|
| F6 | 1.7740 | 2.3360 | 2.4985 | 3.5334 | 2.4985 | |
|---|
Calculated geometries
for BrF5 (bromine pentafluoride).
References
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| squib |
reference |
DOI |
| Gurvich |
Gurvich, L.V.; Veyts, I. V.; Alcock, C. B., Thermodynamic Properties of Individual Substances, Fouth Edition, Hemisphere Pub. Co., New York, 1989 |
10.1351/pac198961061027 |
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cccbdb@nist.gov
