Spin accommodation and reactivity of nickel clusters with oxygen:Aromatic and magnetic metalloxocube Ni_(13)O_(8)^(±)

作     者：Lijun Geng Baoqi Yin Hanyu Zhang Zhen-Dong Sun Zhixun Luo Lijun Geng;Baoqi Yin;Hanyu Zhang;Zhen-Dong Sun;Zhixun Luo

作者机构：School of PhysicsShandong UniversityJinan250100China Beijing National Laboratory for Molecular Sciences(BNLMS)State Key Laboratory for Structural Chemistry of Unstable and Stable SpeciesInstitute of ChemistryChinese Academy of SciencesBeijing100190China School of Physics and Electrical EngineeringKashi UniversityKashgar844006China University of Chinese Academy of SciencesBeijing100049China 

出 版 物：《Nano Research》 (纳米研究（英文版）)

年 卷 期：2021年第14卷第12期

页      面：4822-4827页

核心收录：

学科分类：0808[工学-电气工程] 081704[工学-应用化学] 0809[工学-电子科学与技术（可授工学、理学学位）] 07[理学] 070304[理学-物理化学(含∶化学物理)] 08[工学] 0817[工学-化学工程与技术] 0805[工学-材料科学与工程（可授工学、理学学位）] 0703[理学-化学] 0702[理学-物理学] 

基　　金：We thank Peter Livens for personal communication.Financial support for this work was partially provided by the National Natural Science Foundation of China(Nos.91536105,21722308 and 21802146) the National Project Development of Advanced Scientific Instruments Based on Deep Ultraviolet Laser Source(No.Y31M0112C1) the Beijing Natural Science Foundation(No.2192064) the Key Research Program of Frontier Sciences(CAS,No.QYZDBSSW-SLH024) 

主　　题：metalloxocube superatomic compounds aromaticity ferromagnetism cluster materials 

摘      要：Due to challenges in preparing pure metal clusters and in controlling reactions,the oxides produced by metal clusters reacting with oxygen are often different from traditional ion-molecule products in the gas phase and their reactivity pattern is also largely unveiled *** this work,utilizing a customized Re-TOFMS having a home-made cluster source and a flow tube reactor,we have observed the gaseous reactions of Nin±clusters with oxygen and found magic clusters of Ni_(13)O_(8)±that dominate the mass *** quantum chemistry calculations,we find that both Ni_(13)O_(8)−and Ni_(13)O_(8)+clusters bear a regular cubic structure with 8 oxygen anchoring the eight angles,however,they have rather different spin *** Ni_(13)O_(8)−clusters have 15 unpaired spin-up electrons exhibiting cubic aromaticity and decent ferromagnetism,while the Ni_(13)O_(8)+clusters take a lower-spin ground state(11 unpaired electrons),with spin-down population on the central Ni atom pertaining to *** is a class of metalloxocube clusters that hold properties of aromaticity and ferromagnetism/ferrimagnetism charcterized by a few spin electrons,which embodies the bonding nature of superatomic compounds and enables to develop cluster-genetic materials of multi-functionality.