Co13O8—metalloxocubes:a new class of perovskite-like neutral clusters with cubic aromaticity

• 来源期刊: 国家科学评论（英文版）
• 年，卷（期）: 2021,（1）
• 所属期刊栏目: RESEARCH ARTICLES
• 页码范围: 84-92
• 页数: 9页
• 语种: 英文
• DOI: 10.1093/nsr/nwaa201

摘要

Exploring stable clusters to understand structural evolution from atoms to macroscopic matter and to construct new materials is interesting yet challenging in chemistry.Utilizing our newly developed deep-ultraviolet laser ionization mass spectrometry technique,here we observe the reactions of neutral cobalt clusters with oxygen and find a very stable cluster species of Co13O8 that dominates the mass distribution in the presence of a large flow rate of oxygen gas.The results of global-minimum structural search reveal a unique cubic structure and distinctive stability of the neutral Co13O8 cluster that forms a new class of metal oxides that we named as'metalloxocubes'.Thermodynamics and kinetics calculations illustrate the structural evolution from icosahedral Co13 to the metalloxocube Co13O8 with decreased energy,enhanced stability and aromaticity.This class of neutral oxygen-passivated metal clusters maybe an ideal candidate for genetic materials because of the cubic nature of the building blocks and the stability due to cubic aromaticity.