A stabilization rule for metal carbido cluster bearing μ₃-carbido single-atom-ligand encapsulated in carbon cage.

ABSTRACT: Metal carbido complexes bearing single-carbon-atom ligand such as nitrogenase provide ideal models of adsorbed carbon atoms in heterogeneous catalysis. Trimetallic μ₃-carbido clusterfullerenes found recently represent the simplest metal carbido complexes with the ligands being only carbon atoms, but only few are crystallographically characterized, and its formation prerequisite is unclear. Herein, we synthesize and isolate three vanadium-based μ₃-CCFs featuring V = C double bonds and high valence state of V (+4), including VSc₂C@I_h(7)-C₈₀, VSc₂C@D_5h(6)-C₈₀ and VSc₂C@D_3h(5)-C₇₈. Based on a systematic theoretical study of all reported μ₃-carbido clusterfullerene

SUBMITTER: Guan R 

PROVIDER: S-EPMC10761991 | biostudies-literature | 2024 Jan

REPOSITORIES: biostudies-literature