A relativistic DFT probe for small-molecule activation mediated by low-valent uranium metallocenes

Abstract

Due to powerful reducing ability of the metal active site, low-valent uranium complexes show remarkable performance in activating thermodynamically stable and kinetically inert small molecules. In this work, experimentally known...

Weak Bimetal Coupling-Assisted MN4 Catalyst for Enhanced Carbon Dioxide Reduction Reaction

“…Consequently, enormous efforts have been put into exploring and exploiting various CO 2 activation techniques, which have gained significant recognition in the domains of homogeneous and heterogeneous catalysis. Under those, CO 2 can be converted into CH 4 , − CH 3 OH, , CO, HCOOH, among others. , Notably, most of these processes rely on metal catalysts, underscoring the importance of comprehending how CO 2 is adsorbed onto metal complexes. − …”