Table 2. B–S bond lengths (Å) and Wiberg bond index values for optimized structures of sulfide-coordinated compoundsa.
| Compound | B–S bond lengths/Å | Wiberg bond index | |
|---|---|---|---|
| cis-1a | B1–S1 | 2.233 | 0.537 |
| B2–S2 | 2.232 | 0.539 | |
| cis-1b | B1–S1 | 2.296 | 0.484 |
| B2–S2 | 2.296 | 0.484 | |
| trans-1a | B1–S1 | 2.284 | 0.504 |
| B2–S2 | 2.285 | 0.503 | |
| trans-1b | B1–S1 | 2.382 | 0.429 |
| B2–S2 | 2.347 | 0.452 | |
| cis-5 | B1–S1 | 2.145 | 0.625 |
| B2–S2 | 2.145 | 0.625 | |
| A | B1–S1 | 2.053 | 0.714 |
NBO calculations were conducted at the B3LYP-D3/6-311+G(d,p) level of theory.