Grouptheoretical Analysis




Composition Input Structure


Atomic
Number
Atomic
Symbol
Isotope Isotope
Mass
Isotope
Abundance
Number
Atoms
Mass
7N1414.003199.6340228.0061
8O1615.994999.7620231.9898
16S3231.972194.9900395.9162
Total7 155.9122
Isotopomer Natural Abundance (%)84.6797


Determined Point Group: C2v








Representation ΓN


Characters of reducible representation
E C2.(z) σv.(xz) σd.(yz)
7 1 7 1

Direct sum of irreducible representation
A1 A2 B1 B2
4 0 3 0



Properties of derivatives and isotopomers by single substitution, h(C2v)=4
Atom Set*Site Symmetry**h(Site Symmetry)Identical Atoms***ElementChrialPolarIsotopomer
IsotopeMassAbundance****
1 C2v 41Snoyes34S
33S
36S
157.9080
156.9116
159.9072
3.7887
0.6686
0.008915
2 Cs 22Nnoyes15N156.90920.6221
3 Cs 22Snoyes34S
33S
36S
157.9080
156.9116
159.9072
7.5774
1.3372
0.017829
4 Cs 22Onoyes18O
17O
157.9164
156.9164
0.3395
0.064510
Total Number of Atoms:7✅ Correct Number of Atoms found
*Atom Orbit
**Subgroup of point group C2v
***Calculated as h( C2v)/h(Site Symmetry)
****Natural Abundance of single substituted Isotopomer in %


Numbers of isomers by substitution
ReplacementPatternAchiral
Isomers
Chiral
Isomer Pairs
SingleX40
DoubleX2120
DoubleXY210
TripleX3190
TripleX2Y540
TripleXYZ1050
QuadrupleX4190
QuadrupleX3Y700
QuadrupleX2Y21080
QuadrupleX2YZ2100
QuadrupleWXYZ4200
QuintupleX5120
QuintupleVWXYZ1.2600
SextupleX640
SextupleUVWXYZ2.5200

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 C2.(z) σv.(xz) σd.(yz)
21 -1 7 1

Direct sum of irreducible representation
A1 A2 B1 B2
7 3 7 4

Molecular motions and force field analysis



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