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