Synthesis of N<sub>2</sub>-Type Superatomic Molecules
Ryohei Saito, Katsuhiro Isozaki, Yoshiyuki Mizuhata, Masaharu Nakamura
Abstract
Exploration of multiple bonds between superatoms remains an uncharted territory. In this study, we present the synthesis and characterization of N 2 -type superatomic molecules featuring triple bonds between two superatoms. The successful synthesis of M 2 Au 17 (M = Pd, Pt) nanoclusters hinged upon the photoinduced fusion of MAu 12 superatoms, achieved through sequential electron transfer and detachment of [AuPR 3 ] + species. Solid-state structures were confirmed via X-ray crystallography, while their electronic structures were elucidated through density functional theory (DFT) calculations. Analysis of electronic absorption properties, coupled with time-dependent DFT calculations, unveiled a symmetry-dependent electron transition nature between superatomic molecular orbitals, akin to that observed in conventional molecules.