Fig. 8: NCI and AIM analyses for the transition states I-TS1S and I-TS1R, and the summary of Laplacian electron density (∇2ρ in 10−1 a.u.). | Nature Communications

Fig. 8: NCI and AIM analyses for the transition states I-TS1S and I-TS1R, and the summary of Laplacian electron density (∇2ρ in 10−1 a.u.).

From: Azocarboxamide-enabled enantioselective regiodivergent unsymmetrical 1,2-diaminations

Fig. 8

Optimized structures of transition states I-TS1S (A) and I-TS1R (B), NCI and AIM analyses for transition states I-TS1S (C) and I-TS1R (D). In the three-dimensional structures, oxygen, nitrogen, carbon, phosphorus, and hydrogen atoms are depicted as red, blue, cyan, brown, and white balls, respectively. Bond critical points (BCPs) along the bond paths were visualized as small orange balls connected by yellow lines.

Back to article page