1a-Co. This method leads to select conformation 8 as the lowest one in energy
(Fig. 11) [60].
Similar strategies to explore wide conformational spaces, based on an initial
thorough search of a whole conformational space by means of low-level methods,
followed by further optimization by high-level QM methods, have been employed
by other groups [63, 64].
Fig. 10 Our strategy for exploring the conformational space [60]
Fig. 11 Conformational analysis of 1_A1_H, formed by coordination of the aminoalkene 2n to the
β-diketiminato cobalt(II) alkyl complex 1a-Co [60]
What Makes a Good (Computed) Energy Profile?
17