Table 4.
Sum of the electron densities at the LCPs of CNSs-hydrocarbon complexes in a.u. obtained by AIM analysis.
| An | En | CAn | CEn | ||
|---|---|---|---|---|---|
| CNT | |||||
| n = 2 | 0.0225 | 0.0142 | n = 4 | 0.0302 | 0.0273 |
| n = 4 | 0.0258 | 0.0269 | n = 6 | 0.0303 | 0.0246 |
| n = 6 | 0.0535 | 0.0265 | n = 10 | 0.0504 | 0.0333 |
| ZNT | |||||
| n = 2 | 0.0197 | 0.0125 | n = 4 | 0.0382 | 0.0260 |
| n = 4 | 0.0324 | 0.0244 | n = 6 | 0.0360 | 0.0261 |
| n = 6 | 0.0505 | 0.0145 | n = 10 | 0.0421 | 0.0390 |
| GNR | |||||
| n = 2 | 0.0129 | 0.0148 | n = 4 | 0.0189 | 0.0307 |
| n = 4 | 0.0294 | 0.0224 | n = 6 | 0.0270 | 0.0275 |
| n = 6 | 0.0512 | 0.0398 | n = 10 | 0.0410 | 0.0347 |