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Refining the Distinct Cu-N Coordination in Mesoporous N-Doped Carbon to Boost Selective Deuteration under Mild Conditions.
ACS Appl Mater Interfaces
January 2025
The Institute for Advanced Studies, Wuhan University, Wuhan, Hubei 430072, People's Republic of China.
Deuterated compounds have broad applications across various fields, with dehalogenative deuteration serving as an efficient method to obtain these molecules. However, the diverse electronic structures of active sites in the heterogeneous system and the limited recyclability in the homogeneous system significantly hinder the advancement of dehalogenative deuteration. In this study, we present a catalyst composed of copper single-atom sites anchored within an ordered mesoporous nitrogen-doped carbon matrix, synthesized via a mesopore confinement method.
View Article and Find Full Text PDFStrain-Induced Photochemical Opening of Ferrocene[6]cycloparaphenylene: Uncaging of Fe with Green Light.
J Am Chem Soc
January 2025
Van 't Hoff Institute for Molecular Sciences, University of Amsterdam, 1098 XH Amsterdam, Netherlands.
We present the synthesis, structural analysis, and remarkable reactivity of the first carbon nanohoop that fully incorporates ferrocene in the macrocyclic backbone. The high strain imposed on the ferrocene by the curved nanohoop structure enables unprecedented photochemical reactivity of this otherwise photochemically inert metallocene complex. Visible light activation triggers a ring-opening of the nanohoop structure, fully dissociating the Fe-cyclopentadienyl bonds in the presence of 1,10-phenanthroline.
View Article and Find Full Text PDFUnraveling the Stoichiometric Interactions and Synergism between Ligand-Protected Gold Nanoparticles and Proteins.
J Am Chem Soc
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Department of Chemical and Biomolecular Engineering, National University of Singapore, 4 Engineering Drive 4, Singapore 117585, Singapore.
Nanomaterials that engage in well-defined and tunable interactions with proteins are pivotal for the development of advanced applications. Achieving a precise molecular-level understanding of nano-bio interactions is essential for establishing these interactions. However, such an understanding remains challenging and elusive.
View Article and Find Full Text PDFDeep Eutectic Solvents Meet Non-Aqueous Cosolvents: A Modeling and Simulation Perspective-A Tutorial Review.
J Chem Eng Data
January 2025
Department of Chemical and Geological Sciences, University of Cagliari, 09042 Monserrato, Italy.
Deep eutectic solvents (DESs) have recently gained attention due to their tailorable properties and versatile applications in several fields, including green chemistry, pharmaceuticals, and energy storage. Their tunable properties can be enhanced by mixing DESs with cosolvents such as ethanol, acetonitrile, and water. DESs are structurally complex, and molecular modeling techniques, including quantum mechanical calculations and molecular dynamics simulations, play a crucial role in understanding their intricate behavior when mixed with cosolvents.
View Article and Find Full Text PDFImplementing magnetic properties on demand with a dynamic lanthanoid-organic framework.
Chem Sci
December 2024
Instituto de Ciencia Molecular (ICMol), Universidad de Valencia c/Catedrático José Beltrán 2 Paterna 46980 Spain
We present the synthesis of a lanthanoid-organic framework (LOF) featuring a dynamic structure that exhibits tunable magnetic properties. The LOF undergoes breathing and gate-opening phenomena in response to changes in DMF content and N sorption, leading to the emergence of new crystal phases with distinct characteristics. Notably, the desolvated form of the LOF excels as a single-ion magnet, while the fully activated structure demonstrates impressive qubit properties, exhibiting Rabi oscillations up to 60 K.
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