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

Listing of experimental geometry data for ClS2 (Sulfur chloride)

Rotational Constants (cm-1)
See section I.F.4 to change rotational constant units
A B C
0.61108 0.09432 0.08159
Rotational Constants from 1994Fuj/Hir:1043
Calculated rotational constants for ClS2 (Sulfur chloride).

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
rSS 1.906 2 3 1994Fuj/Hir:1043
rSCl 2.071 1 2 1994Fuj/Hir:1043
aSSCl 110.3 1 2 3 1994Fuj/Hir:1043
picture of Sulfur chloride

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

Atom x (Å) y (Å) z (Å)
Cl1 -1.5694 -0.5810 0.0000
S2 0.0000 0.7703 0.0000
S3 1.6675 -0.1529 0.0000

Atom - Atom Distances (Å)
  Cl1 S2 S3
Cl12.07103.2651
S22.07101.9060
S33.26511.9060

Calculated geometries for ClS2 (Sulfur chloride).


References
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squib reference DOI
1994Fuj/Hir:1043 Fujitake, M.; Hirota, E. "The microwave spectrum of the ClS2 free radical." Can. J. Phys. 72, 1043 (1994) 10.1139/p94-136

Got a better number? Please email us at cccbdb@nist.gov


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