Grouptheoretical Analysis




Composition Input Structure


Atomic
Number
Atomic
Symbol
Isotope Isotope
Mass
Isotope
Abundance
Number
Atoms
Mass
9F1918.9984100.00006113.9904
54Xe132131.904226.90001131.9042
Total7 245.8946
Isotopomer Natural Abundance (%)26.9000


Determined Point Group: C3v








Representation ΓN


Characters of reducible representation
E 2C3 v
7 1 3

Direct sum of irreducible representation
A1 A2 E
3 0 2



Properties of derivatives and isotopomers by single substitution, h(C3v)=6
Atom Set*Site Symmetry**h(Site Symmetry)Identical Atoms***ElementChrialPolarIsotopomer
IsotopeMassAbundance****
1 C3v 61Xenoyes129Xe
131Xe
134Xe
136Xe
130Xe
128Xe
124Xe
126Xe
242.8952
244.8955
247.8958
249.8976
243.8939
241.8940
237.8963
239.8947
26.4000
21.2000
10.4000
8.9000
4.1000
1.9100
0.100000
0.090000
2 Cs 23Fnoyes---
3 Cs 23Fnoyes---
Total Number of Atoms:7✅ Correct Number of Atoms found
*Atom Orbit
**Subgroup of point group C3v
***Calculated as h( C3v)/h(Site Symmetry)
****Natural Abundance of single substituted Isotopomer in %


Numbers of isomers by substitution
ReplacementPatternAchiral
Isomers
Chiral
Isomer Pairs
SingleX30
DoubleX251
DoubleXY64
TripleX373
TripleX2Y913
TripleXYZ632
QuadrupleX473
QuadrupleX3Y1218
QuadrupleX2Y21428
QuadrupleX2YZ1264
QuadrupleWXYZ0140
QuintupleX551
QuintupleVWXYZ0420
SextupleX630
SextupleUVWXYZ0840

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 v
21 0 3

Direct sum of irreducible representation
A1 A2 E
5 2 7

Molecular motions and force field analysis



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