Direct sum of irreducible representation
A' |
A'' |
9 |
6 |
Properties of derivatives and isotopomers by single substitution, h(Cs)=2
Atom Set* | Site Symmetry** | h(Site Symmetry) | Identical Atoms*** | Element | Chrial | Polar | Isotopomer |
---|
Isotope | Mass | Abundance**** |
---|
1 | Cs |
2 | 1 | C | no | yes | 13C | 71.0816 | 1.0508 |
2 | Cs |
2 | 1 | H | no | yes | 2H | 71.0845 | 0.014740 |
3 | Cs |
2 | 1 | H | no | yes | 2H | 71.0845 | 0.014740 |
4 | C1 |
1 | 2 | C | yes | yes | 13C | 71.0816 | 2.1015 |
5 | C1 |
1 | 2 | C | yes | yes | 13C | 71.0816 | 2.1015 |
6 | C1 |
1 | 2 | H | yes | yes | 2H | 71.0845 | 0.029480 |
7 | C1 |
1 | 2 | H | yes | yes | 2H | 71.0845 | 0.029480 |
8 | C1 |
1 | 2 | H | yes | yes | 2H | 71.0845 | 0.029480 |
9 | C1 |
1 | 2 | H | yes | yes | 2H | 71.0845 | 0.029480 |
Total Number of Atoms: | 15 | ✅ Correct Number of Atoms found |
*Atom Orbit
**Subgroup of point group C
s
***Calculated as h( C
s)/h(Site Symmetry)
****Natural Abundance of single substituted Isotopomer in %
Numbers of isomers by substitution
Replacement | Pattern | Achiral Isomers | Chiral Isomer Pairs |
Single | X | 3 | 6 |
Double | X2 | 9 | 48 |
Double | XY | 6 | 102 |
Triple | X3 | 19 | 218 |
Triple | X2Y | 21 | 672 |
Triple | XYZ | 6 | 1.362 |
Quadruple | X4 | 33 | 666 |
Quadruple | X3Y | 36 | 2.712 |
Quadruple | X2Y2 | 66 | 4.062 |
Quadruple | X2YZ | 36 | 8.172 |
Quadruple | WXYZ | 0 | 16.380 |
Quintuple | X5 | 51 | 1.476 |
Quintuple | VWXYZ | 0 | 180.180 |
Sextuple | X6 | 65 | 2.470 |
Sextuple | UVWXYZ | 0 | 1.801.800 |
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 |
σh |
45 |
3 |