Grouptheoretical Analysis




Composition Input Structure


Atomic
Number
Atomic
Symbol
Isotope Isotope
Mass
Isotope
Abundance
Number
Atoms
Mass
9F1918.9984100.0000594.9920
15P3130.9738100.0000130.9738
Total6 125.9658
Isotopomer Natural Abundance (%)100.0000


Determined Point Group: D3h








Representation ΓN


Characters of reducible representation
E 2C3 3C'2 σh 2S3 v
6 3 2 4 1 4

Direct sum of irreducible representation
A'1 A'2 E' A''1 A''2 E''
3 0 1 0 1 0



Properties of derivatives and isotopomers by single substitution, h(D3h)=12
Atom Set*Site Symmetry**h(Site Symmetry)Identical Atoms***ElementChrialPolarIsotopomer
IsotopeMassAbundance****
1 D3h 121Pnono---
2 C3v 62Fnoyes---
3 C2v 43Fnoyes---
Total Number of Atoms:6✅ Correct Number of Atoms found
*Atom Orbit
**Subgroup of point group D3h
***Calculated as h( D3h)/h(Site Symmetry)
****Natural Abundance of single substituted Isotopomer in %


Numbers of isomers by substitution
ReplacementPatternAchiral
Isomers
Chiral
Isomer Pairs
SingleX30
DoubleX250
DoubleXY80
TripleX360
TripleX2Y111
TripleXYZ163
QuadrupleX450
QuadrupleX3Y111
QuadrupleX2Y2123
QuadrupleX2YZ168
QuadrupleWXYZ1622
QuintupleX530
QuintupleVWXYZ060
SextupleX610
SextupleUVWXYZ060

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 2C3 3C'2 σh 2S3 v
18 0 -2 4 -2 4

Direct sum of irreducible representation
A'1 A'2 E' A''1 A''2 E''
2 1 4 0 3 2

Molecular motions and force field analysis



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