Research Article
A Computational and Structural Database Study of the Metal-Carbene Bond in Groups IA, IIA, and IIIA Imidazol-2-Ylidene Complexes
Table 4
Selected bond lengths (Å) and bond angles (°) of the optimized borane complexes with the experimental reference in parenthesis.
| | | 1 (ALAZUJ) | 2 | 3 | 4 | 5 | 6 | 7 |
| | Bond length | | C1-B28 | 1.611 (1.602) | 1.712 | 1.737 | 1.657 | 1.675 | 1.612 | 1.610 | | C1-N27 | 1.366 (1.362) | 1.363 | 1.374 | 1.366 | 1.361 | 1.366 | 1.369 | | C16-N27 | 1.489 (1.474) | 1.500 | 1.503 | 1.512 | 1.500 | 1.489 | 1.495 | | Bond angle | | N27-C1-B28 | 127.6 (129.5) | 127.5 | 127.6 | 127.1 | 127.2 | 127.3 | 127.3 | | C16-N27-C1 | 128.4 (126.1) | 131.2 | 133.0 | 133.4 | 130.3 | 128.4 | 129.0 |
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