Direct sum of irreducible representation
A |
B1 |
B2 |
B3 |
7 |
4 |
4 |
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 | 155.0816 | 1.9449 |
2 | C1 |
1 | 4 | C | yes | yes | 13C | 155.0816 | 3.8899 |
3 | C1 |
1 | 4 | C | yes | yes | 13C | 155.0816 | 3.8899 |
4 | C2 |
2 | 2 | C | yes | yes | 13C | 155.0816 | 1.9449 |
5 | C2 |
2 | 2 | H | yes | yes | 2H | 155.0845 | 0.027284 |
6 | C1 |
1 | 4 | H | yes | yes | 2H | 155.0845 | 0.054567 |
7 | C1 |
1 | 4 | H | yes | yes | 2H | 155.0845 | 0.054567 |
Total Number of Atoms: | 22 | ✅ 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 | 69 |
Double | XY | 123 |
Triple | X3 | 402 |
Triple | X2Y | 1.182 |
Triple | XYZ | 2.340 |
Quadruple | X4 | 1.897 |
Quadruple | X3Y | 7.390 |
Quadruple | X2Y2 | 11.124 |
Quadruple | X2YZ | 22.050 |
Quadruple | WXYZ | 43.980 |
Quintuple | X5 | 6.667 |
Quintuple | VWXYZ | 790.200 |
Sextuple | X6 | 18.885 |
Sextuple | UVWXYZ | 13.430.520 |
Further Reading
- P.W. Fowler, J. Chem. Soc. Faraday Trans. 91(15) 2241 (1995)
Isomer Counting using Point Group Symmetry
Representation Γ3N