期刊
INORGANIC CHEMISTRY
卷 60, 期 1, 页码 345-356出版社
AMER CHEMICAL SOC
DOI: 10.1021/acs.inorgchem.0c02972
关键词
-
资金
- MINECO [PGC2018-093863-BC21]
- Spanish Structures of Excellence Maria de Maeztu program [MDM-2017-0767]
- AGAUR [2017-SGR-1289]
- Spanish MICINN [RYC2017-22853]
- University of Barcelona
This study reveals the bonding mechanism in Li2X2 rings, introduces simple electron counting rules, and illustrates the borderline between the covalent and ionic bonding models.
In spite of the highly ionic character of most lithium-element bonds, the bonding within Li2X2 rings presents similarities with that found in analogous transition metal systems. They obey simple framework electron counting rules that allow us to predict whether they will form a regular ring or a squeezed one with short Li-Li or X-X distances. A combined computational and structural database analysis discloses the orbital conditions that determine the framework electron counting rules. These systems probe the borderline between the covalent and ionic bonding models since, paradoxically, a non-negligible covalent contribution of the two Li atoms (formally Li+ ions in the ionic model) to the Li-X framework bonding favors them approaching each other within bonding distance.
作者
我是这篇论文的作者
点击您的名字以认领此论文并将其添加到您的个人资料中。
推荐
暂无数据