Research Article
Structural Analysis and Reactivity of Tetramethylcopper(III) Complex towards Nitrogen Donor Ligands by Density Functional Theory
Table 1
Selected bond lengths (Å) and bond angles (°) of copper III complexes with nitrogen.
| | Complexes | Bond length (Å) | Bond angle (°) | | Cu-C | Cu-L | L-Cu-L |
| | Cu(CH3)4−1 | (1) | 2.02 | | | | CuN(CH3)33− | (2) | 2.01
2.08 | 1.85 (N) | | | Cu(NH)(CH3)32− | (3) | 2.04
2.07 | 1.93 (NH) | | | transCu(NH)2(CH3)23− | (4) | 2.04 | 1.96 (NH) | 175.5 (NH) | | Cu(NH2)(CH3)3−1 | (5) | 1.99 | 1.91 (NH2) | 174.92 | | cisCu(NH2)2(CH3)2−1 | (6) | 1.99 | 1.93 (NH2) | 93.04 | | transCu(NH2)2(CH3)2−1 | (7) | 2.02 | 1.90 (NH2) | 179.17 | | Cu(NHCH2-CH2NH)(CH3)2−1 | (8) | 2.00 | 1.90 (NH) | 85.79 | | Cu(NH)2C6H4(CH3)2−1 | (9) | 1.97 | 1.90 (NH) | 83.81 |
|
|
