Saturn-like charge-transfer complexes Li₄&B₃₆, Li₅&B₃₆⁺, and Li₆&B₃₆²⁺: exohedral metalloborospherenes with a perfect cage-like B₃₆⁴⁻ core.

Abstract

Based on extensive first-principles theory calculations, we present the possibility of construction of the Saturn-like charge-transfer complexes Li4&B36 (2), Li5&B36(+) (3), and Li6&B36(2+) (4) all of which contain a perfect cage-like B36(4-) (1) core composed of twelve interwoven boron double chains with a σ + π double delocalization bonding pattern… (More)
DOI: 10.1039/c6cp01279e

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