Listing of experimental geometry data for SF6 (Sulfur Hexafluoride)
Rotational Constants (cm-1)
See section I.F.4 to change rotational constant units
| A |
B |
C |
| 0.09107 |
0.09107 |
0.09107 |
Rotational Constants from
1984Pat/Her:31
Calculated rotational constants
for SF6 (Sulfur Hexafluoride).
Point Group Oh
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 |
| rSF |
1.561 |
1 |
2 |
|
|
1998Kuc |
|
| aFSF |
90 |
2 |
1 |
3 |
|
1998Kuc |
symmetry |
| aFSF |
180 |
2 |
1 |
7 |
|
1998Kuc |
symmetry |
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) |
| S1
| 0.0000
| 0.0000
| 0.0000
|
| F2
| 0.0000
| 0.0000
| 1.5607
|
| F3
| 0.0000
| 1.5607
| 0.0000
|
| F4
| 1.5607
| 0.0000
| 0.0000
|
| F5
| 0.0000
| -1.5607
| 0.0000
|
| F6
| -1.5607
| 0.0000
| 0.0000
|
| F7
| 0.0000
| 0.0000
| -1.5607
|
Atom - Atom Distances (Å)
| |
S1 |
F2 |
F3 |
F4 |
F5 |
F6 |
F7 |
| S1 | | 1.5607 | 1.5607 | 1.5607 | 1.5607 | 1.5607 | 1.5607 |
|---|
| F2 | 1.5607 | | 2.2072 | 2.2072 | 2.2072 | 2.2072 | 3.1214 |
|---|
| F3 | 1.5607 | 2.2072 | | 2.2072 | 3.1214 | 2.2072 | 2.2072 |
|---|
| F4 | 1.5607 | 2.2072 | 2.2072 | | 2.2072 | 3.1214 | 2.2072 |
|---|
| F5 | 1.5607 | 2.2072 | 3.1214 | 2.2072 | | 2.2072 | 2.2072 |
|---|
| F6 | 1.5607 | 2.2072 | 2.2072 | 3.1214 | 2.2072 | | 2.2072 |
|---|
| F7 | 1.5607 | 3.1214 | 2.2072 | 2.2072 | 2.2072 | 2.2072 | |
|---|
Calculated geometries
for SF6 (Sulfur Hexafluoride).
References
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| squib |
reference |
DOI |
| 1984Pat/Her:31 |
CW Patterson, F Herlemont, M Azizi, J Lemaire " Doppler-Free Two-Photon Spectroscopy of the 2nu3 band of SF6" J. Mol. Spect. 108, 31-41 (1984) |
10.1016/0022-2852(84)90284-4 |
| 1998Kuc |
K Kuchitsu(ed) "Structure of Free Polyatomic Molecules - Basic Data" Springer, Berlin, 1998 |
|
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