Fig. 5. (a) 2D potential energy surface scan along B–Ru–H angle coordinates (α1: B1–Ru–H1, α2: B2–Ru–H2). Transition states TS1/TS1′ and a shallow minimum between them correspond to 4-1, TS2 corresponds to 4-2. (b–d) Laplacian maps and bond path in the B1–B2–Ru1 plane in 4-1 (b), 4-2 (c), and 3 (d). QTAIM delocalization indices are shown for the selected B–H, Ru–H, and Ru–B bonds.
