Grouptheoretical Analysis




Composition Input Structure


Atomic
Number
Atomic
Symbol
Isotope Isotope
Mass
Isotope
Abundance
Number
Atoms
Mass
9F1918.9984100.00006113.9904
16S3231.972194.9900131.9721
Total7 145.9625
Isotopomer Natural Abundance (%)94.9900


Determined Point Group: Oh








Representation ΓN


Characters of reducible representation
E 8C3 6C2 6C4 3C2 i 6S4 8S6 h d
7 1 1 3 3 1 1 1 5 3

Direct sum of irreducible representation
A1g A2g Eg T1g T2g A1u A2u Eu T1u T2u
2 0 1 0 0 0 0 0 1 0



Properties of derivatives and isotopomers by single substitution, h(Oh)=48
Atom Set*Site Symmetry**h(Site Symmetry)Identical Atoms***ElementChrialPolarIsotopomer
IsotopeMassAbundance****
1 Oh 481Snono34S
33S
36S
147.9583
146.9619
149.9575
4.2500
0.7500
0.010000
2 C4v 86Fnoyes---
Total Number of Atoms:7✅ Correct Number of Atoms found
*Atom Orbit
**Subgroup of point group Oh
***Calculated as h( Oh)/h(Site Symmetry)
****Natural Abundance of single substituted Isotopomer in %


Numbers of isomers by substitution
ReplacementPatternAchiral
Isomers
Chiral
Isomer Pairs
SingleX20
DoubleX230
DoubleXY40
TripleX340
TripleX2Y70
TripleXYZ91
QuadrupleX440
QuadrupleX3Y80
QuadrupleX2Y2101
QuadrupleX2YZ133
QuadrupleWXYZ1510
QuintupleX530
QuintupleVWXYZ1545
SextupleX620
SextupleUVWXYZ0105

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 8C3 6C2 6C4 3C2 i 6S4 8S6 h d
21 0 -1 3 -3 -3 -1 0 5 3

Direct sum of irreducible representation
A1g A2g Eg T1g T2g A1u A2u Eu T1u T2u
1 0 1 1 1 0 0 0 3 1

Molecular motions and force field analysis



Last update April, 29th 2022 by A. Gelessus, Impressum, Datenschutzerklärung/DataPrivacyStatement