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• W2949407316 abstract "The newly discovered atom-centered polygonal wheels B82- and B9- are predicted to show ring currents characteristic of aromatic systems. Ipsocentric mapping of induced current density for both molecules attributes a π diatropic current to the four electrons of the doubly degenerate π HOMO and a σ diatropic current to the four electrons of the doubly degenerate σ HOMO, each orbital pair having an available transition to corresponding LUMO orbitals in which the angular node count increases by one. Thus, on the magnetic criterion, B82- and B9- are each both π- and σ-aromatic as a consequence of the nodal properties of the frontier orbitals of the π- and σ-stacks." @default.
• W2949407316 created "2019-06-27" @default.
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• W2949407316 date "2007-03-08" @default.
• W2949407316 modified "2023-09-25" @default.
• W2949407316 title "Induced Currents and Electron Counting in Aromatic Boron Wheels: B₈²^- and B₉^-" @default.
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• W2949407316 doi "https://doi.org/10.1021/ic062302t" @default.
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