期刊
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
卷 -, 期 -, 页码 -出版社
WILEY-V C H VERLAG GMBH
DOI: 10.1002/anie.202317312
关键词
Aromaticity; Global Minimum; Hydrogen; Multicentre Bonding; Planar Tetracoordination
In this study, the first planar tetracoordinate hydrogen atom (ptH) was discovered in the global minimum geometry of an In4H+ cluster. The ptH is negatively charged and forms multicentre bonds.
Among the list of planar tetracoordinate atoms, the smallest element hydrogen is missing. No experimental and theoretical evidence have ever been put forwarded. Herein, we introduce the first planar tetracoordinate hydrogen atom (ptH) in the global minimum geometry of In4H+ cluster. Bonding analysis indicates that the central hydrogen atom is acting like a proton and significant charge transfer from the surrounding In4 framework results in a negative charge of the central hydrogen atom. The proposed global minimum geometry possesses sigma-aromaticity and the central hydrogen atom forms unusual multicentre bond with more than three centres. Planar tetracoordinate hydrogen atom has been predicted for the first time in the global minimum D4h geometry of In4H+ cluster.image
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