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Computational Chemistry Comparison and Benchmark DataBase
Release 22May 2022
NIST Standard Reference Database 101
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II.A.3. (XII.A.1.)

Listing of experimental geometry data for ClSSCl (Disulfur dichloride)

Rotational Constants (cm-1)


See section I.F.4 to change rotational constant units
A B C
0.18457 0.04649 0.04112
Rotational Constants from 1979Mar/Bro:399
Calculated rotational constants for ClSSCl (Disulfur dichloride).

Point Group C2

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 1.931 1 2 JANAF
rSCl 2.057 1 3 JANAF
aSSCl 108.2 1 2 4 JANAF
dClSSCl 84.8 3 1 2 4 JANAF
picture of Disulfur dichloride

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 2

Atom x (Å) y (Å) z (Å)
S1 0.6120 0.7468 0.7434
S2 -0.6120 -0.7468 0.7434
Cl3 0.0000 2.0789 -0.6996
Cl4 0.0000 -2.0789 -0.6996

Atom - Atom Distances (Å)

  S1 S2 Cl3 Cl4
S11.93102.05703.2313
S21.93103.23132.0570
Cl32.05703.23134.1578
Cl43.23132.05704.1578

Calculated geometries for ClSSCl (Disulfur dichloride).
References
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squib reference DOI
1979Mar/Bro:399 CJ Marsden, RD Brown, PD Godfrey "Microwave spectrum and Molecular Structure of Disulphur Dichloride, S2Cl2" J. Chem. Soc. Chem. Comm. 1979, 399 10.1039/c39790000399
JANAF Chase, M.W., Jr.; Davies, C.A.; Downey, J.R., Jr.; Frurip, D.J.; McDonald, R.A.; Syverud, A.N., JANAF Thermochemical Tables (Third Edition), J. Phys. Chem. Ref. Data,Suppl. 1, 1985, 14, 1.  

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