Direct sum of irreducible representation
| A |
E*
|
| 13 |
11 |
Properties of derivatives and isotopomers by single substitution, h(C3)=3
| Atom Set* | Site Symmetry** | h(Site Symmetry) | Identical Atoms*** | Element | Chrial | Polar | Isotopomer |
|---|
| Isotope | Mass | Abundance**** |
|---|
| 1 | C3 |
3 | 1 | C | yes | yes | 13C | 245.1286 | 0.8992 |
| 2 | C3 |
3 | 1 | H | yes | yes | 2H | 245.1315 | 0.012614 |
| 3 | C1 |
1 | 3 | C | yes | yes | 13C | 245.1286 | 2.6975 |
| 4 | C1 |
1 | 3 | C | yes | yes | 13C | 245.1286 | 2.6975 |
| 5 | C1 |
1 | 3 | C | yes | yes | 13C | 245.1286 | 2.6975 |
| 6 | C1 |
1 | 3 | C | yes | yes | 13C | 245.1286 | 2.6975 |
| 7 | C1 |
1 | 3 | C | yes | yes | 13C | 245.1286 | 2.6975 |
| 8 | C1 |
1 | 3 | C | yes | yes | 13C | 245.1286 | 2.6975 |
| 9 | C1 |
1 | 3 | H | yes | yes | 2H | 245.1315 | 0.037841 |
| 10 | C1 |
1 | 3 | H | yes | yes | 2H | 245.1315 | 0.037841 |
| 11 | C1 |
1 | 3 | H | yes | yes | 2H | 245.1315 | 0.037841 |
| 12 | C1 |
1 | 3 | H | yes | yes | 2H | 245.1315 | 0.037841 |
| 13 | C1 |
1 | 3 | H | yes | yes | 2H | 245.1315 | 0.037841 |
| Total Number of Atoms: | 35 | ✅ Correct Number of Atoms found |
*Atom Orbit
**Subgroup of point group C
3
***Calculated as h( C
3)/h(Site Symmetry)
****Natural Abundance of single substituted Isotopomer in %
Numbers of isomers by substitution
| Replacement | Pattern | Chiral Isomers |
| Single | X | 13 |
| Double | X2 | 199 |
| Double | XY | 398 |
| Triple | X3 | 2.189 |
| Triple | X2Y | 6.545 |
| Triple | XYZ | 13.090 |
| Quadruple | X4 | 17.468 |
| Quadruple | X3Y | 69.828 |
| Quadruple | X2Y2 | 104.720 |
| Quadruple | X2YZ | 209.440 |
| Quadruple | WXYZ | 418.880 |
| Quintuple | X5 | 108.218 |
| Quintuple | VWXYZ | 12.985.280 |
| Sextuple | X6 | 541.090 |
| Sextuple | UVWXYZ | 389.558.400 |
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 |
C3 |
(C3)2 |
| 105 |
0 |
0 |