Open AccessCu 14 Cluster with Partial Cu(0) Character: Difference in Electronic Structure from Isostructural Silver Analog
Author(s) -
Li YanLing,
Wang Jie,
Luo Peng,
Ma XiaoHong,
Dong XiYan,
Wang ZhaoYang,
Du ChenXia,
Zang ShuangQuan,
Mak Thomas C. W.
Publication year - 2019
Publication title -
advanced science
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 5.388
H-Index - 100
ISSN - 2198-3844
DOI - 10.1002/advs.201900833
Subject(s) - isostructural , copper , cluster (spacecraft) , crystallography , x ray photoelectron spectroscopy , superatom , chemistry , electronic structure , density functional theory , atom (system on chip) , single crystal , crystal structure , computational chemistry , physics , organic chemistry , nuclear magnetic resonance , computer science , programming language , embedded system
An atom‐precise Cu 0 ‐containing copper cluster, Cu 14 (C 2 B 10 H 10 S 2 ) 6 (CH 3 CN) 8 (abbreviated as Cu 14 ‐8CH 3 CN) 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. Cu 14 ‐8CH 3 CN is the only copper cluster that has a virtually identical silver structural analog, i.e., Ag 14 (C 2 B 10 H 10 S 2 ) 6 (CH 3 CN) 8 (hereafter as Ag 14 ‐8CH 3 CN). Nevertheless, density functional theory calculations reveal that the electronic structure of Cu 14 ‐8CH 3 CN differs significantly from the superatom electronic configuration of Ag 14 ‐8CH 3 CN. Moreover, Cu 14 ‐8CH 3 CN shows room‐temperature luminescence and good electrocatalytic activities in the ethanol oxidation reaction and detection of H 2 O 2 . This pair of unprecedented analogous molecular nanoscale systems offer an ideal platform to investigate the fundamental differences between copper and silver in terms of catalytic activity and optical properties.