Research Article
A Computational and Structural Database Study of the Metal-Carbene Bond in Groups IA, IIA, and IIIA Imidazol-2-Ylidene Complexes
Table 5
Percent distribution of electrons in the C1-B28 bond with the corresponding s and p characters.
| Molecule | Electron density (e) | Percent C1 | Percent B28 |
| 1 | 1.966 | 67.95 (48.64%s : 51.36% p) | 32.05 (22.56%s : 77.35%p) | 2 | 1.956 | 72.44 (44.50%s : 55.50%p) | 27.56 (23.68%s : 76.19%p) | 3 | 1.949 | 72.14 (46.72%s : 53.28%p) | 27.86 (20.43%s : 79.45%p) | 4 | 1.944 | 64.78 (44.58%s : 55.14%p) | 35.22 (24.31%s : 75.64%p) | 5 | 1.970 | 72.24 (42.48%s : 57.51%p) | 27.76 (26.93%s : 72.92%p) | 6 | 1.969 | 67.90 (48.64%s : 51.36%p) | 32.10 (22.49%s : 77.43%p) | 7 | 1.967 | 68.15 (48.94%s : 51.06%p) | 31.85 (22.29%s : 77.36%p) |
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