Table 3. Calculated average Mulliken charges of the electrons of the structures in (e) units.
| Structure | Element | |||||
|---|---|---|---|---|---|---|
| H | F | Al | P | S | Ti | |
| BP | — | — | — | — | — | — |
| HF + BP | 0.550 (0.640) | −0.630 (−0.640) | — | 0.002 | — | — |
| H2S + BP | 0.195 (0.200) | — | — | −0.001 | −0.390 (−0.400) | — |
| Al-BP | — | — | 0.660 | −0.018 | — | — |
| HF + Al-BP | 0.110 | −0.730 | 1.220 | −0.016 | — | — |
| H2S + Al-BP | 0.145 | — | 0.780 | −0.024 | −0.200 | — |
| Ti-BP | — | — | — | −0.019 | — | 0.690 |
| HF + Ti-BP | 0.470 | −0.530 | — | −0.022 | — | 0.800 |
| H2S + Ti-BP | 0.155 | — | — | −0.023 | −0.230 | 0.700 |