Explanatory parameters of unit structures of BTES-P and BTES-Ph.
| Parameters | BTES-P | BTES-Ph |
|---|---|---|
| Number of hydrogens | 6 | 4 |
| H/C | 2 | 0.667 |
| Volume (Å3) | 169.3 | 190.6 |
| LUMO (Ha) | 0.0389 | −0.0330 |
| Atomic charge of Si | 0.975 | 0.907 |
| Atomic charge of O | −0.622 | −0.617 |
| a | 0.791 | 3.965 |
| n | 2.042 | 2.498 |