Vertical π-extension of dibenzopentalene: A combined experimental and computational study of a phenanthreno-benzopentalene derivative

Péter J. Mayer,Bence B. Botlik,Enikő Meiszter, Krisztina Németh,Christian J. Schürmann,Tamás Holczbauer,Gábor London

COMPUTATIONAL AND THEORETICAL CHEMISTRY（2023）

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摘要

•An unsymmetrical, vertically π-extended dibenzo[a,e]pentalene derivative was synthesized using gold catalysis.•Experimental data from 1H NMR spectroscopy, X-ray crystallography, UV–vis spectroscopy and cyclic voltammetry indicated enhanced antiaromatic character compared to the parent dibenzo[a,e]pentalene.•Computational analysis including NICS-XY scans and ACID plots supported the experimental observations.

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关键词

dibenzopentalene,phenanthreno-benzopentalene

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