Grouptheoretical Analysis




Composition Input Structure


Atomic
Number
Atomic
Symbol
Isotope Isotope
Mass
Isotope
Abundance
Number
Atoms
Mass
16S3231.972194.99007223.8045
Total7 223.8045
Isotopomer Natural Abundance (%)69.7823


Determined Point Group: Cs








Representation ΓN


Characters of reducible representation
E σh
7 1

Direct sum of irreducible representation
A' A''
4 3



Properties of derivatives and isotopomers by single substitution, h(Cs)=2
Atom Set*Site Symmetry**h(Site Symmetry)Identical Atoms***ElementChrialPolarIsotopomer
IsotopeMassAbundance****
1 Cs 21Snoyes34S
33S
36S
225.8003
224.8039
227.7995
3.1222
0.5510
0.007346
2 C1 12Syesyes34S
33S
36S
225.8003
224.8039
227.7995
6.2443
1.1019
0.014693
3 C1 12Syesyes34S
33S
36S
225.8003
224.8039
227.7995
6.2443
1.1019
0.014693
4 C1 12Syesyes34S
33S
36S
225.8003
224.8039
227.7995
6.2443
1.1019
0.014693
Total Number of Atoms:7✅ Correct Number of Atoms found
*Atom Orbit
**Subgroup of point group Cs
***Calculated as h( Cs)/h(Site Symmetry)
****Natural Abundance of single substituted Isotopomer in %


Numbers of isomers by substitution
ReplacementPatternAchiral
Isomers
Chiral
Isomer Pairs
SingleX13
DoubleX239
DoubleXY021
TripleX3316
TripleX2Y351
TripleXYZ0105
QuadrupleX4316
QuadrupleX3Y070
QuadrupleX2Y26102
QuadrupleX2YZ0210
QuadrupleWXYZ0420
QuintupleX539
QuintupleVWXYZ01.260
SextupleX613
SextupleUVWXYZ02.520

Further Reading

  • P.W. Fowler, J. Chem. Soc. Faraday Trans. 91(15) 2241 (1995)
    Isomer Counting using Point Group Symmetry




Representation Γ3N


Characters of reducible representation
E σh
21 1

Direct sum of irreducible representation
A' A''
11 10

Molecular motions and force field analysis



Last update November, 13th 2023 by A. Gelessus, Impressum, Datenschutzerklärung/DataPrivacyStatement