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

Listing of experimental geometry data for F2SO (Thionyl Fluoride)

Rotational Constants (cm-1)
See section I.F.4 to change rotational constant units
A B C
0.28736 0.27876 0.16521
Rotational Constants from 1972Luc/Smi:327
Calculated rotational constants for F2SO (Thionyl Fluoride).

Point Group Cs

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
rOS 1.413 1 2 1972Luc/Smi:327 r0
rFS 1.585 1 3 1972Luc/Smi:327 r0
aFSF 92.83 3 1 4 1972Luc/Smi:327 r0
aOSF 106.82 2 1 3 1972Luc/Smi:327 r0
picture of Thionyl Fluoride

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

Atom x (Å) y (Å) z (Å)
S1 0.2465 0.3814 0.0000
O2 -1.0476 0.9488 0.0000
F3 0.2465 -0.7607 1.0990
F4 0.2465 -0.7607 -1.0990

Atom - Atom Distances (Å)
  S1 O2 F3 F4
S11.41301.58501.5850
O21.41302.40932.4093
F31.58502.40932.1980
F41.58502.40932.1980

Calculated geometries for F2SO (Thionyl Fluoride).


References
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squib reference DOI
1972Luc/Smi:327 NJD Lucas, JG Smith "The microwave spectrum and harmonic force field of thionyl fluoride" J. Mol. Spect. 43, 327-341 (1972) 10.1016/0022-2852(72)90044-6

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