Deciphering the Superatomic Behavior of Group V Metal Monoxides
Deciphering the Superatomic Behavior of Group V Metal Monoxides
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破译 V 族金属一氧化物的超原子行为
DOI：
10.1021/acs.jpclett.1c01971
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发表时间：
2021
影响因子：
5.7
通讯作者：
Tang Zichao
中科院分区：
文献类型：
--
作者：
Zhang Jiangle;Chen Shanjun;Yu Jingxiong;Deng Zefeng;Qin Zhengbo;Qiu Xingtai;Jiang Yihuang;Jiao Chengxiang;Tang Zichao
V族金属氧化物的价轨道表现出类似于造币金属元素原子的原子性质。用负离子光电子速度图成像法测定了MO-1/0(M=V，Nb，Ta)的电子结构。测定了MO(M=V，Nb，Ta)分子的基态和激发态的电子亲和能和振动频率，以及光电子角分布。根据等效电子原理，Mo-(M=V，Nb，Ta)分子具有类似于金属原子的价电子构型，尽管分子具有更复杂的电子态，并伴随着磁性超原子的模仿。一般来说，除了铸币金属原子的低自旋态外，V族金属氧化物除了TaO外，还表现出高自旋态，在工业催化中具有潜在的廉价超原子的应用前景。
The valence orbitals of Group V metal monoxides exhibit atomic-like properties which mimic that of coinage metal element atoms. The electronic structures of MO–1/0(M = V, Nb, and Ta) have been determined by negative ion photoelectron velocity map imaging. Electron affinities and vibrational frequencies for the ground state and excited states of MO (M = V, Nb, and Ta) molecules have been identified as well as photoelectron angular distributions. On the basis of the equivalent-electron principle, MO–(M = V, Nb, and Ta) molecules bear valence electron configurations similar to those of coinage metal elemental atoms, despite having more complicated electronic states for molecules, and concomitant mimicry of magnetic superatom. Generally, other than low-spin states of coinage metal atoms, Group V metal monoxides demonstrate a high-spin state except for TaO, possessing the potential applications to inexpensive superatoms in industrial catalysis.