Table 1.
L–M–L angle [°] and linearization energy ΔElin [kcal mol−1] in dicoordinate d10-ML2 complexes[a]
Group 9 | Group 10 | Group 11 | ||||||
---|---|---|---|---|---|---|---|---|
L–M–L | ΔElin[b] | L–M–L | ΔElin[b] | L–M–L | ΔElin[b] | |||
Co(NH3)2− | 180.0 | 0 | Ni(NH3)2 | 180.0 | 0 | Cu(NH3)2+ | 180.0 | 0 |
Co(PH3)2− | 131.8 | 6.4 | Ni(PH3)2 | 180.0 | 0 | Cu(PH3)2+ | 180.0 | 0 |
Co(CO)2− | 128.6 | 19.9 | Ni(CO)2 | 144.5 | 2.1 | Cu(CO)2+ | 180.0 | 0 |
Rh(NH3)2− | 180.0 | 0 | Pd(NH3)2 | 180.0 | 0 | Ag(NH3)2+ | 180.0 | 0 |
Rh(PH3)2− | 141.2 | 2.0 | Pd(PH3)2 | 180.0 | 0 | Ag(PH3)2+ | 180.0 | 0 |
Rh(CO)2− | 130.8 | 10.2 | Pd(CO)2 | 155.6 | 0.5 | Ag(CO)2+ | 180.0 | 0 |
Ir(NH3)2− | 180.0 | 0 | Pt(NH3)2 | 180.0 | 0 | Au(NH3)2+ | 180.0 | 0 |
Ir(PH3)2− | 144.1 | 2.4 | Pt(PH3)2 | 180.0 | 0 | Au(PH3)2+ | 180.0 | 0 |
Ir(CO)2− | 134.2 | 13.4 | Pt(CO)2 | 159.0 | 0.6 | Au(CO)2+ | 180.0 | 0 |
[a] Computed at ZORA-BLYP/TZ2P. [b] Relative energy of the linear ML2 complex relative to its equilibrium geometry.