Relationship of QTAIM and NOCV Descriptors with Tolman’s Electronic Parameter

Figure 3

Relationship between the delocalization index (DI (b)) and the electron density at bond critical points ((BCP) (a)) and the calculated or A carbonyl stretching frequencies of L complexes. The value is given in gray when ligand is also taken into account. Correlation equations: ; DI =

(a)

(b)