Grouptheoretical Analysis




Composition Input Structure


Atomic
Number
Atomic
Symbol
Isotope Isotope
Mass
Isotope
Abundance
Number
Atoms
Mass
1H11.007899.984444.0313
6C1212.000098.9000112.0000
Total5 16.0313
Isotopomer Natural Abundance (%)98.8383


Determined Point Group: Td








Representation ΓN


Characters of reducible representation
E 8C3 3C2 6S4 d
5 2 1 1 3

Direct sum of irreducible representation
A1 A2 E T1 T2
2 0 0 0 1



Properties of derivatives and isotopomers by single substitution, h(Td)=24
Atom Set*Site Symmetry**h(Site Symmetry)Identical Atoms***ElementChrialPolarIsotopomer
IsotopeMassAbundance****
1 C3v 64Hnoyes2H17.03760.061685
2 Td 241Cnono13C17.03471.0993
Total Number of Atoms:5✅ Correct Number of Atoms found
*Atom Orbit
**Subgroup of point group Td
***Calculated as h( Td)/h(Site Symmetry)
****Natural Abundance of single substituted Isotopomer in %


Numbers of isomers by substitution
ReplacementPatternAchiral
Isomers
Chiral
Isomer Pairs
SingleX20
DoubleX220
DoubleXY30
TripleX320
TripleX2Y30
TripleXYZ31
QuadrupleX420
QuadrupleX3Y30
QuadrupleX2Y230
QuadrupleX2YZ31
QuadrupleWXYZ05
QuintupleX510
QuintupleVWXYZ05
SextupleX600
SextupleUVWXYZ00

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 3C2 6S4 d
15 0 -1 -1 3

Direct sum of irreducible representation
A1 A2 E T1 T2
1 0 1 1 3

Molecular motions and force field analysis



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