The Chemical Bond in Polyphosphides: Crystal Structures, the Electron Localization Function, and a New View of Aromaticity in P42− and P5−
作者： Florian Kraus , Nikolaus Korber
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摘要: The incongruent solvation of MI4P6 species (MI = K, Rb, Cs) in liquid ammonia leads to a broad variety polyphosphides such as P73−, P113−, and the putatively aromatic P42− P5−, which we investigated by using NMR spectroscopy single-crystal X-ray structure analysis. structures Cs2P4⋅2 NH3, (K@[18]crown-6)3K3(P7)2⋅10 NH3, Rb3P7⋅7 NH3, (Rb@[18]crown-6)3P7⋅6 NH3 are discussed compared. electron localization function ELF is used comparison chemical bonding various phosphorus species. variances basin populations provide well-established measure for delocalization therefore aromaticity. While comparable variance calculated P5− it observed lone pairs rather than bonds prototypical hydrocarbons benzene or cyclopentadienide anion. For this behavior, term “lone pair aromaticity” proposed.
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