Direct sum of irreducible representation
| A |
B1 |
B2 |
B3 |
| 7 |
6 |
6 |
7 |
Properties of derivatives and isotopomers by single substitution, h(D2)=4
| Atom Set* | Site Symmetry** | h(Site Symmetry) | Identical Atoms*** | Element | Chrial | Polar | Isotopomer |
|---|
| Isotope | Mass | Abundance**** |
|---|
| 1 | C2 |
2 | 2 | C | yes | yes | 13C | 137.1286 | 1.9866 |
| 2 | C1 |
1 | 4 | C | yes | yes | 13C | 137.1286 | 3.9732 |
| 3 | C1 |
1 | 4 | C | yes | yes | 13C | 137.1286 | 3.9732 |
| 4 | C1 |
1 | 4 | H | yes | yes | 2H | 137.1315 | 0.055735 |
| 5 | C1 |
1 | 4 | H | yes | yes | 2H | 137.1315 | 0.055735 |
| 6 | C1 |
1 | 4 | H | yes | yes | 2H | 137.1315 | 0.055735 |
| 7 | C1 |
1 | 4 | H | yes | yes | 2H | 137.1315 | 0.055735 |
| Total Number of Atoms: | 26 | ✅ Correct Number of Atoms found |
*Atom Orbit
**Subgroup of point group D
2
***Calculated as h( D
2)/h(Site Symmetry)
****Natural Abundance of single substituted Isotopomer in %
Numbers of isomers by substitution
| Replacement | Pattern | Chiral Isomers |
| Single | X | 7 |
| Double | X2 | 91 |
| Double | XY | 163 |
| Triple | X3 | 656 |
| Triple | X2Y | 1.956 |
| Triple | XYZ | 3.900 |
| Quadruple | X4 | 3.796 |
| Quadruple | X3Y | 14.956 |
| Quadruple | X2Y2 | 22.542 |
| Quadruple | X2YZ | 44.856 |
| Quadruple | WXYZ | 89.700 |
| Quintuple | X5 | 16.478 |
| Quintuple | VWXYZ | 1.973.400 |
| Sextuple | X6 | 57.772 |
| Sextuple | UVWXYZ | 41.441.400 |
Further Reading
- P.W. Fowler, J. Chem. Soc. Faraday Trans. 91(15) 2241 (1995)
Isomer Counting using Point Group Symmetry
Representation Γ3N