Cu₁₄ Cluster with Partial Cu(0) Character: Difference in Electronic Structure from Isostructural Silver Analog.

ABSTRACT: An atom-precise Cu⁰-containing copper cluster, Cu₁₄(C₂B₁₀H₁₀S₂)₆(CH₃CN)₈ (abbreviated as Cu₁₄-8CH₃CN) is reported, which is synthesized via a simultaneous reduction strategy and fully characterized by single-crystal X-ray diffraction, ESI-TOF-MS, and X-ray photoelectron spectroscopy. Cu₁₄-8CH₃CN is the only copper cluster that has a virtually identical silver structural analog, i.e., Ag₁₄(C₂B₁₀H₁₀S₂)₆(CH₃CN)₈ (hereafter as Ag₁₄-8CH₃CN). Nevertheless, density functional theory calculations reveal that the electronic structure of Cu₁₄

SUBMITTER: Li YL 

PROVIDER: S-EPMC6755520 | biostudies-literature | 2019 Sep

REPOSITORIES: biostudies-literature