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Sb(η6-Be6H6)Sb and Bi(η6-Be6H6)Bi: Double Aromatic Inverse-Sandwich Complexes
Xiao-Han Yin1, Hui-Yu Zhang1, Zhong-Hua Cui1
1Institute of Atomic and Molecular Physics, Jilin University, Changchun 130023, China.
Abstract:
BenHn rings, isoelectronic with boron rings, offer a promising platform for designing unusual bonding patterns and unique geometries. Here, we report the first BenHn-based inverse-sandwich complexes. Potential energy surface analyses of M2Be6H6 (M = N, P, As, Sb, or Bi) show that Sb2Be6H6 and Bi2Be6H6 adopt inverse-sandwich geometries as global minima. The Sb(η6-Be6H6)Sb and Bi(η6-Be6H6)Bi structures feature a Be6H6 ring with D6h symmetry sandwiched between two Sb or Bi atoms. Strong charge transfer from the Be6H6 ring to the metals provides electrostatic stabilization, while three delocalized 14-center two-electron (14c-2e) σ bonds and three eight-center two-electron (8c-2e) π bonds confer covalent stabilization. Together, these interactions generate dual Hückel aromaticity, accounting for the exceptional stability of these complexes.
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