Calculated NICS values (ppm).
| NICSzz | NICSπzz | FiPC | |||
|---|---|---|---|---|---|
| Distance (Å) | 0 | 1 | 0 | 1 | — |
| 1: (CH)6 | −14.48 | −29.25 | −35.78 | −29.07 | −9.07 |
| 2: (HBNH)3 | 11.98 | −5.17 | −7.89 | −5.88 | −2.34 |
| 3: [(MesN)(BCl)(BPMe3)]2 | −3.36 | −12.32 | — | — | −4.03 |
| 3′: [(HN)(BH)(BPH3)]2 | −3.75 | −15.18 | −19.73 | −16.54 | −3.85 |
| 4′: [(HN)2(BH)4]2– | −5.49 | −15.42 | −20.73 | −17.02 | — |