globalchange  > 气候变化与战略
DOI: 10.1016/j.scib.2019.10.026
论文题名:
Discovery of space aromaticity in transition–metal monoxide crystal Nb3O3 enabled by octahedral Nb6 structural units
作者: Hu Z.; Qian G.; Li S.; Yang L.; Chen X.; Weng M.; Tan W.; Pan F.
刊名: Science Bulletin
ISSN: 20959273
出版年: 2020
卷: 65, 期:5
起始页码: 367
结束页码: 372
语种: 英语
中文关键词: 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
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
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被引频次[WOS]:3   [查看WOS记录]     [查看WOS中相关记录]
资源类型: 期刊论文
标识符: http://119.78.100.158/handle/2HF3EXSE/169918
Appears in Collections:气候变化与战略

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作者单位: School of Advanced Materials, Peking University, Shenzhen Graduate School, Shenzhen, 518055, China

Recommended Citation:
Hu Z.,Qian G.,Li S.,et al. Discovery of space aromaticity in transition–metal monoxide crystal Nb3O3 enabled by octahedral Nb6 structural units[J]. Science Bulletin,2020-01-01,65(5)
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