Ruixue Li

Dual Electrophilic–Nucleophilic Behavior of M(II) Centers (M = Co, Ni, Cu) in M(acac)2 Complexes: Insights into Intermolecular Noncovalent Interactions

Abstract Quantum-chemical calculations were performed to elucidate the electrophilic and nucleophilic properties of first-row transition-metal centers in M(acac)2 (M = Co2+, Ni2+, Cu2+; Hacac = acetylacetone), as well as the nature of the resultant M···N/I interactions with pyraz...