Issue 49, 2024

D4h H©K4H4: a planar tetracoordinate hydrogen global minimum

Abstract

Herein we report a square-like D4h H©K4H4 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 HK4 core. The multicenter ionic bonds dominate the stability of ptH, while the contribution of qualitative σ aromaticity is extremely limited.

Graphical abstract: D 4h H©K4H4−: a planar tetracoordinate hydrogen global minimum

Supplementary files

Article information

Article type
Communication
Submitted
25 Mar 2024
Accepted
24 May 2024
First published
25 May 2024

Chem. Commun., 2024,60, 6300-6303

D 4h H©K4H4: a planar tetracoordinate hydrogen global minimum

L. Bai, Y. Jin and J. Guo, Chem. Commun., 2024, 60, 6300 DOI: 10.1039/D4CC01368A

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