Table 3.
Aromaticity indices values for the various C and N atoms in Naphthalene, 1-AN, 1, 2-DAN, 1, 3-DAN, 1, 4-DAN, 1, 5-DAN, 1, 6-DAN, 1, 7-DAN and 1, 8-DAN.
S/N | Compounds | PDI | FLU | FLU- | PLR |
---|---|---|---|---|---|
1 | Naphthalene | 0.163 | 0.127 | 0.621 | 0.487 |
2 | 1-AN | 0.887 | 0.094 | 0.513 | 0.789 |
3 | 1,2-DAN | 1.000 | 0.734 | 0.137 | 0.784 |
4 | 1,3-DAN | 0.492 | 0812 | 0.118 | 0.521 |
5 | 1,4- DAN | 1.892 | 0.596 | 0.079 | 0.473 |
6 | 1,5- DAN | 1.058 | 0.785 | 1.133 | 0.452 |
7 | 1,6- DAN | 0.694 | 0.793 | 0.909 | 0.779 |
8 | 1,7- DAN | 0.121 | 1.401 | 1.404 | 0.872 |
9 | 1,8- DAN | 1.080 | 0.873 | 0.457 | 0.833 |