Miao Junjian, Song Bo, Gao Yi
Division of Interfacial Water and Key Laboratory of Interfacial Physics and Technology, Shanghai Institute of Applied Physics, Chinese Academy of Sciences, Shanghai, 201800, P.R. China.
Chemistry. 2016 Feb 18;22(8):2586-9. doi: 10.1002/chem.201504210. Epub 2016 Jan 21.
The interaction between a noble gas atom and an aromatic π-electron system, which mainly originates from the London dispersion force, is very weak and has not attracted enough attention yet. Herein, we reported a type of notably enhanced aerogen-π interaction between cation-π systems and noble gas atoms. The binding strength of a divalent cation-π system with a xenon atom is comparable to a moderate hydrogen bond (up to ca. 7 kcal mol(-1)), whereas krypton and argon atoms produce slightly weaker interactions. Energy-decomposition analysis reveals that the induction interaction is responsible for the stabilization of divalent cation-π⋅Xe species besides the dispersion interaction. Our results might be helpful to increase the understanding of some unsolved mysteries of aerogens.
稀有气体原子与芳香π电子体系之间的相互作用主要源于伦敦色散力，非常微弱，尚未引起足够的关注。在此，我们报道了一种阳离子-π体系与稀有气体原子之间显著增强的气-π相互作用。二价阳离子-π体系与氙原子的结合强度与中等强度的氢键相当（高达约7千卡·摩尔⁻¹），而氪和氩原子产生的相互作用稍弱。能量分解分析表明，除了色散相互作用外，诱导相互作用对二价阳离子-π·Xe物种的稳定性也有贡献。我们的结果可能有助于增进对一些稀有气体未解之谜的理解。
