D 4h H©K 4 H 4 - : a planar tetracoordinate hydrogen global minimum

Herein we report a square-like H©K H anion with one planar tetracoordinate hydrogen (ptH) center, which is the global minimum (GM) structure and possesses good dynamic stability. The planar structure of the system is preserved by four peripheral K-H-K three-center two-electron (3c-2e) σ bonds togeth...

Full description

Saved in:
Bibliographic Details
Published in:Chemical communications (Cambridge, England) England), 2024-06, Vol.60 (49), p.6300
Main Authors: Bai, Li-Xia, Jin, Yan-Xia, Guo, Jin-Chang
Format: Article
Language:English
Citations: Items that this one cites
Online Access:Get full text
Tags: Add Tag
No Tags, Be the first to tag this record!
Description
Summary:Herein we report a square-like H©K H anion with one planar tetracoordinate hydrogen (ptH) center, which is the global minimum (GM) structure and possesses good dynamic stability. The planar structure of the system is preserved by four peripheral K-H-K three-center two-electron (3c-2e) σ bonds together with one 5c-2e σ bond over the HK core. The multicenter ionic bonds dominate the stability of ptH, while the contribution of qualitative σ aromaticity is extremely limited.
ISSN:1359-7345
1364-548X
DOI:10.1039/D4CC01368A