Direct sum of irreducible representation
| A |
T1 |
T2 |
G |
H |
| 3 |
7 |
7 |
10 |
11 |
Properties of derivatives and isotopomers by single substitution, h(I)=60
| Atom Set* | Site Symmetry** | h(Site Symmetry) | Identical Atoms*** | Element | Chrial | Polar | Isotopomer |
|---|
| Isotope | Mass | Abundance**** |
|---|
| 1 | C3 |
3 | 20 | C | yes | yes | 13C | 1681.0034 | 4.7283 |
| 2 | C1 |
1 | 60 | C | yes | yes | 13C | 1681.0034 | 14.1850 |
| 3 | C1 |
1 | 60 | C | yes | yes | 13C | 1681.0034 | 14.1850 |
| Total Number of Atoms: | 140 | ✅ Correct Number of Atoms found |
|---|
*Atom Orbit
**Subgroup of point group I
***Calculated as h( I)/h(Site Symmetry)
****Natural Abundance of single substituted Isotopomer in %
Numbers of isomers by substitution
| Replacement | Pattern | Chiral
Isomers |
|---|
| Single | X | 3 |
| Double | X2 | 180 |
| Double | XY | 325 |
| Triple | X3 | 7.475 |
| Triple | X2Y | 22.379 |
| Triple | XYZ | 44.758 |
| Quadruple | X4 | 256.128 |
| Quadruple | X3Y | 1.022.005 |
| Quadruple | X2Y2 | 1.534.169 |
| Quadruple | X2YZ | 3.065.923 |
| Quadruple | WXYZ | 6.131.846 |
| Quintuple | X5 | 6.949.452 |
| Quintuple | VWXYZ | 833.931.056 |
| Sextuple | X6 | 156.376.103 |
| Sextuple | UVWXYZ | 112.580.692.560 |
Further Reading
- P.W. Fowler, J. Chem. Soc. Faraday Trans. 91(15) 2241 (1995)
Isomer Counting using Point Group Symmetry
Representation Γ3N