D4h H©K4H4−: a planar tetracoordinate hydrogen global minimum

Abstract

Herein we report a square-like D_4h 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.