. 2023 Aug 10;62(34):14028–14043. doi: 10.1021/acs.inorgchem.3c02075

Table 1. Methyl Cation Affinities (MCAs in kJ mol^–1 at 298.15 K) for 1, 3, and 4^a.

compound	vacuum	chloroform
1 (P)	672	532
1 (Sb)	549	413
3	666	533
4	546	430

Calculated at the PBE0(d3)/def2-TZVP:sdd(Fe,Sb) level of theory. Solvent effects have been approximated using the PCM model. For 1, the site at which methylation occurred is specified.

Table 1. Methyl Cation Affinities (MCAs in kJ mol–1 at 298.15 K) for 1, 3, and 4a.

Table 1. Methyl Cation Affinities (MCAs in kJ mol^–1 at 298.15 K) for 1, 3, and 4^a.