Understanding the mechanism of direct visible-light-activated [2 + 2] cycloadditions mediated by Rh and Ir photocatalysts: combined computational and spectroscopic studies
Hoimin Jung, Mannkyu Hong, Marianna Marchini, Marco Villa, Philipp S. Steinlandt, Xiaoqiang Huang, Marcel Hemming, Eric Meggers, Paola Ceroni, Jiyong Park, Mu‐Hyun Baik
Abstract
The mechanism of [2 + 2] cycloadditions activated by visible light and catalyzed by bis-cyclometalated Rh(<sc>iii</sc>) and Ir(<sc>iii</sc>) photocatalysts was investigated, combining density functional theory calculations and spectroscopic techniques.
Topics & Concepts
Density functional theoryVisible spectrumMechanism (biology)ChemistryPhotocatalysisPhotochemistryCatalysisReaction mechanismComputational chemistryCombinatorial chemistryMaterials scienceOptoelectronicsPhysicsOrganic chemistryQuantum mechanicsRadical Photochemical ReactionsCatalytic C–H Functionalization MethodsOxidative Organic Chemistry Reactions