Stepwise deprotonation of sumanene: electronic structures, energetics and aromaticity alterations.

Abstract

The first comprehensive theoretical investigation of structural, energetic, and electronic changes in a sumanene skeleton, C21H12, upon a step-wise deprotonation process is performed. This study is complemented by a detailed consideration of aromaticity in target bowl-shaped systems, including neutral sumanene and its three deprotonated anions, namely… (More)
DOI: 10.1039/c7cp03549g

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