Grouptheoretical Analysis




Composition Input Structure


Atomic
Number
Atomic
Symbol
Isotope Isotope
Mass
Isotope
Abundance
Number
Atoms
Mass
1H11.007899.984444.0313
6C1212.000098.9000448.0000
Total8 52.0313
Isotopomer Natural Abundance (%)95.6124


Determined Point Group: Td








Representation ΓN


Characters of reducible representation
E 8C3 3C2 6S4 d
8 2 0 0 4

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



Properties of derivatives and isotopomers by single substitution, h(Td)=24
Atom Set*Site Symmetry**h(Site Symmetry)Identical Atoms***ElementChrialPolarIsotopomer
IsotopeMassAbundance****
1 C3v 64Cnoyes13C53.03474.2537
2 C3v 64Hnoyes2H53.03760.059671
Total Number of Atoms:8✅ 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
DoubleX240
DoubleXY60
TripleX360
TripleX2Y102
TripleXYZ128
QuadrupleX481
QuadrupleX3Y146
QuadrupleX2Y21611
QuadrupleX2YZ1826
QuadrupleWXYZ1264
QuintupleX560
QuintupleVWXYZ0280
SextupleX640
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 8C3 3C2 6S4 d
24 0 0 0 4

Direct sum of irreducible representation
A1 A2 E T1 T2
2 0 2 2 4

Molecular motions and force field analysis



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