Grouptheoretical Analysis




Composition Input Structure


Atomic
Number
Atomic
Symbol
Isotope Isotope
Mass
Isotope
Abundance
Number
Atoms
Mass
1H11.007899.984433.0235
7N1414.003199.6340114.0031
Total4 17.0265
Isotopomer Natural Abundance (%)99.5874


Determined Point Group: C3v








Representation ΓN


Characters of reducible representation
E 2C3 v
4 1 2

Direct sum of irreducible representation
A1 A2 E
2 0 1



Properties of derivatives and isotopomers by single substitution, h(C3v)=6
Atom Set*Site Symmetry**h(Site Symmetry)Identical Atoms***ElementChrialPolarIsotopomer
IsotopeMassAbundance****
1 C3v 61Nnoyes15N18.02360.3658
2 Cs 23Hnoyes2H18.03280.046614
Total Number of Atoms:4✅ 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
SingleX20
DoubleX220
DoubleXY21
TripleX320
TripleX2Y21
TripleXYZ04
QuadrupleX410
QuadrupleX3Y20
QuadrupleX2Y220
QuadrupleX2YZ21
QuadrupleWXYZ04
QuintupleX500
QuintupleVWXYZ00
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 2C3 v
12 0 2

Direct sum of irreducible representation
A1 A2 E
3 1 4

Molecular motions and force field analysis



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