Grouptheoretical Analysis




Composition Input Structure


Atomic
Number
Atomic
Symbol
Isotope Isotope
Mass
Isotope
Abundance
Number
Atoms
Mass
15P3130.9738100.00004123.8950
Total4 123.8950
Isotopomer Natural Abundance (%)100.0000


Determined Point Group: Td








Representation ΓN


Characters of reducible representation
E 8C3 3C2 6S4 d
4 1 0 0 2

Direct sum of irreducible representation
A1 A2 E T1 T2
1 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 64Pnoyes---
Total Number of Atoms:4✅ 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
SingleX10
DoubleX210
DoubleXY10
TripleX310
TripleX2Y10
TripleXYZ01
QuadrupleX410
QuadrupleX3Y10
QuadrupleX2Y210
QuadrupleX2YZ10
QuadrupleWXYZ01
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 8C3 3C2 6S4 d
12 0 0 0 2

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

Molecular motions and force field analysis



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