@article{Geng2021, 
author = {Lijun Geng and Baoqi Yin and Hanyu Zhang and Zhen-Dong Sun and Zhixun Luo},
title = {Spin accommodation and reactivity of nickel clusters with oxygen: Aromatic and magnetic metalloxocube Ni13O8±},
year = {2021},
journal = {Nano Research},
volume = {14},
number = {12},
pages = {4822-4827},
keywords = {metalloxocube, superatomic compounds, aromaticity, ferromagnetism, cluster materials},
url = {https://www.sciopen.com/article/10.1007/s12274-021-3435-7},
doi = {10.1007/s12274-021-3435-7},
abstract = {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 yet. In 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 Ni13O8± that dominate the mass distributions. By quantum chemistry calculations, we find that both Ni13O8– and Ni13O8+ clusters bear a regular cubic structure with 8 oxygen anchoring the eight angles, however, they have rather different spin accommodations. The Ni13O8– clusters have 15 unpaired spin-up electrons exhibiting cubic aromaticity and decent ferromagnetism, while the Ni13O8+ clusters take a lower-spin ground state (11 unpaired electrons), with spin-down population on the central Ni atom pertaining to ferrimagnetism. This 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.}
}