Figure 2: The mechanism of single-molecule chemical redox reaction based on quantum chemical calculation.
From: Single-molecule chemical reaction reveals molecular reaction kinetics and dynamics
(a) Schematic diagram of the mechanism for the redox process of single dye (resorufin) molecules. The fluorescence state (on or off) of the dye is indicated at each reaction step. (b) The energy profile for resorufin reduction by NaBH4 (kcal mol−1). Inset: IM2* represents there is one fast charge rearrangement process from IM2a to IM2b (bottom inset), and then spontaneous protonation process to IM2.
