@article{oai:oist.repo.nii.ac.jp:00001819,
 author = {Rivada‐Wheelaghan, Orestes and Comas‐Vives, Aleix and Fayzullin, Robert R. and Lledós, Agustí and Khusnutdinova, Julia R.},
 issue = {53},
 journal = {Chemistry – A European Journal},
 month = {Sep},
 note = {Cooperation between two different metals plays a crucial role in many synergistic catalytic reactions, such as the Sonogashira C-C cross-coupling reaction, where an interaction between the Pd and Cu centers is proposed in the transmetalation step. Although several heterobimetallic Pd/Cu complexes were proposed as structural models of the active species in Sonogashira coupling, the detailed understanding of the metal-metal cooperation in transmetalation is still lacking in current systems. In this work, we report a stepwise and systematic approach to building heteromultimetallic Pd/Cu assemblies as a tool to study metal-metal cooperativity. We obtained fully characterized Pd/Cu multimetallic assemblies that show reactivity in alkyne activation, formation of catalytically relevant aryl/acetylide species, and C-C elimination, serving as functional models for Sonogashira reaction intermediates. The combined experimental and DFT studies highlight the importance of ligand-controlled coordination geometry, metal-metal distances and dynamics of the multimetallic assembly for transmetalation step.},
 pages = {12168--12179},
 title = {Dynamic Pd(II) /Cu(I) Multimetallic Assemblies as Molecular Models to Study Metal-Metal Cooperation in Sonogashira Coupling},
 volume = {26},
 year = {2020}
}