气候变化领域集成服务门户(CCPortal): Discovery of space aromaticity in transition–metal monoxide crystal Nb3O3 enabled by octahedral Nb6 structural units

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DOI	10.1016/j.scib.2019.10.026
	Discovery of space aromaticity in transition–metal monoxide crystal Nb3O3 enabled by octahedral Nb6 structural units
	Hu Z.; Qian G.; Li S.; Yang L.; Chen X.; Weng M.; Tan W.; Pan F.
发表日期	2020
ISSN	20959273
起始页码	367
结束页码	372
卷号	65 期号:5
英文摘要	An octahedral Nb6 structural unit with space aromaticity is identified for the first time in a transition–metal monoxide crystal Nb3O3 by ab initio calculations. The strong Nb–Nb metallic bonding facilitates the formation of stable octahedral Nb6 structural units and the release of delocalization energy. Moreover, the Nb atoms in continuously connected Nb6 structural units share their electrons with each other in a continuous space of framework, so that the electrons are uniformly distributed. The newly discovered aromaticity in the octahedral Nb6 structural units extends the range of aromatic compounds and broadens our vision in structural chemistry. © 2019 Science China Press
关键词	Aromaticity Nb–Nb metallic bonding Octahedral Nb6 Structural unit Transition–metal monoxides
英文关键词	Aromatization; Calculations; Chemical bonds; Crystal atomic structure; Metals; Ab initio calculations; Aromaticities; Continuous spaces; Delocalization energy; Metallic bonding; Octahedral Nb6; Structural chemistry; Structural unit; Niobium compounds
语种	英语
来源期刊	Science Bulletin
文献类型	期刊论文
条目标识符	http://gcip.llas.ac.cn/handle/2XKMVOVA/207062
作者单位	School of Advanced Materials, Peking University, Shenzhen Graduate School, Shenzhen, 518055, China
推荐引用方式 GB/T 7714	Hu Z.,Qian G.,Li S.,等. Discovery of space aromaticity in transition–metal monoxide crystal Nb3O3 enabled by octahedral Nb6 structural units[J],2020,65(5).
APA	Hu Z..,Qian G..,Li S..,Yang L..,Chen X..,...&Pan F..(2020).Discovery of space aromaticity in transition–metal monoxide crystal Nb3O3 enabled by octahedral Nb6 structural units.Science Bulletin,65(5).
MLA	Hu Z.,et al."Discovery of space aromaticity in transition–metal monoxide crystal Nb3O3 enabled by octahedral Nb6 structural units".Science Bulletin 65.5(2020).