Direct sum of irreducible representation
| A |
B |
E*
|
| 4 |
4 |
4 |
Properties of derivatives and isotopomers by single substitution, h(S4)=4
| Atom Set* | Site Symmetry** | h(Site Symmetry) | Identical Atoms*** | Element | Chrial | Polar | Isotopomer |
|---|
| Isotope | Mass | Abundance**** |
|---|
| 1 | C1 |
1 | 4 | C | yes | yes | 13C | 240.9101 | 1.3407 |
| 2 | C1 |
1 | 4 | C | yes | yes | 13C | 240.9101 | 1.3407 |
| 3 | C1 |
1 | 4 | Cl | yes | yes | 37Cl | 241.9038 | 38.5666 |
| 4 | C1 |
1 | 4 | H | yes | yes | 2H | 240.9130 | 0.018807 |
| Total Number of Atoms: | 16 | ✅ Correct Number of Atoms found |
*Atom Orbit
**Subgroup of point group S
4
***Calculated as h( S
4)/h(Site Symmetry)
****Natural Abundance of single substituted Isotopomer in %
Numbers of isomers by substitution
| Replacement | Pattern | Achiral Isomers | Chiral Isomer Pairs |
| Single | X | 0 | 4 |
| Double | X2 | 0 | 32 |
| Double | XY | 0 | 60 |
| Triple | X3 | 0 | 140 |
| Triple | X2Y | 0 | 420 |
| Triple | XYZ | 0 | 840 |
| Quadruple | X4 | 4 | 460 |
| Quadruple | X3Y | 0 | 1.820 |
| Quadruple | X2Y2 | 0 | 2.744 |
| Quadruple | X2YZ | 0 | 5.460 |
| Quadruple | WXYZ | 0 | 10.920 |
| Quintuple | X5 | 0 | 1.092 |
| Quintuple | VWXYZ | 0 | 131.040 |
| Sextuple | X6 | 0 | 2.016 |
| Sextuple | UVWXYZ | 0 | 1.441.440 |
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 |
S4 |
C2 |
(S4)3 |
| 48 |
0 |
0 |
0 |