Table 2. Bonding and QTAIM parameters for different spin-states of Int1·L^{1 a} .

Bonding parameter	1Int1·L1		3Int1·L1		5Int1·L1
	Co–N(1)	Co–N(2)	Co–N(1)	Co–N(2)	Co–N(1)	Co–N(2)
r	1.948	1.894	1.878	1.925	1.985	2.073
ρ	0.104	0.113	0.125	0.108	0.087	0.072
∇2ρ	0.408	0.563	0.441	0.474	0.477	0.356
H(r)	–0.030	–0.031	–0.045	–0.032	–0.020	–0.014
FBO	1.053	1.010	1.183	0.982	0.901	0.784
MBO	0.736	0.651	0.777	0.626	0.434	0.399
LBO	0.369	0.515	0.450	0.454	0.343	0.268

^aBonding parameters: Co–N_(1)amide Co–N_(2)pyrrole: distance r in Å, QTAIM parameters in a.u.; ρ electron density, ∇²ρ laplacian of electron density, H(r) local energy density. FBO = Fuzzy Bond Order,24 MBO = Mayer Bond Order,25 LBO = Laplacian Bond Order.26