Sustainable and Bench‐Stable Photoactive Aqueous Nanoaggregates of Cu(II) for ppm Level Cu(I) Catalysis in Water

Abstract The nanomaterial containing amphiphile‐stabilized mononuclear Cu(II) is developed. material characterized by various spectroscopic techniques, such as X‐ray absorption spectrscopy (XAS), high‐resolution transmission electron microscopy, nuclear magnetic resonance (NMR), UV‐vis, and infrared spectroscopies. Since the structural data for amphiphile‐bound center not available, a theoretical model based on DFT calculations employed. analyses NMR data, including isotope labeling, support that tertiary amide group of amphiphile binds to Cu surface. Likewise, bond distances found XAS spectroscopy agree with model. Time‐dependent studies predict low‐lying excited state has dominant ligand‐to‐metal charge transfer (LMCT) character. changes Cu(I) assisted LMCT excitation upon visible light irradiation, generating robust catalytically active species. catalytic activity domino azidation‐[3+2] cycloaddition reactions in water investigated. protocol applicable substrates, stable under ambient conditions up three months.