Fig. 5: Reactive intermediates monitoring and DFT calculations. | Nature Communications

Fig. 5: Reactive intermediates monitoring and DFT calculations.

From: Biomimetic single Al-OH site with high acetylcholinesterase-like activity and self-defense ability for neuroprotection

Fig. 5

In situ ATR-FTIR spectra of MOF-induced a ACh and b DENP hydrolysis reactions. c Proposed reaction process on MOF-808-Al. d The energy diagram of MOF-808 and MOF-808-Al system. e, f Calculated charge density differences study the bonding interactions among Zr/Al, O, and C atoms and the charge transfer (yellow/blue isosurfaces denote an increase/decrease of electron density).

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