Operando UV-Vis Spectroscopy as Potential In-line PAT System for Size Determination of Functioning Metal Nanocatalysts

Abstract Metal nanoparticle-catalyzed reactions such as hydrogenation, cross-coupling, carbonylation, and hydroformylation reactions are the most widely used reactions in the pharmaceutical and fine chemical industries. However, there is no operando spectroscopic technique that exists to monitor the size of functioning nanocatalyst. By exploiting localized surface plasmon resonance of catalytically relevant nanostructures, such as monometallic (e.g., Pd, Pt, Ni, Rh, Au, and Cu) nanoparticles and bimetallic core–shell (e.g., Ag-Pd) nanoparticles, we show UV–Vis spectroscopy can be used to determine the size of functioning nanocatalyst. Based on our finite-difference time-domain simulations, it is possible to detect leaching of even a monolayer of atoms from the surface of widely used metal nanocatalysts with a conventional UV–Vis spectrometer. This sensitive, inexpensive and robust spectroscopic approach can be potentially used as in-line process analytical technology (PAT) in pharmaceutical development and manufacturing.