Reversible structural rearrangement of π-expanded cyclooctatetraene upon two-fold reduction with alkali metals

• DOI: 10.1039/d2cc00218c
• Publication Date: 2022-02-17T10:52:33Z
• Authors: Zheng Zhou; Yikun Zhu; Zheng Wei; John Bergner; Christian Neiß; Susanne Doloczki; Andreas Görling; Milan Kivala; Marina A. Petrukhina
• Keywords: Cyclooctatetraene; Derivative (finance)

The chemical reduction of a π-expanded COT derivative, octaphenyltetrabenzocyclooctatetraene (1), with lithium or sodium metals in the presence secondary ligands affords new doubly-reduced product (1TR2-). X-ray diffraction study revealed reductive core rearrangement accompanied by formation single C-C bond and severe twist central tetraphenylene core. reversibility two-electron transformation is further confirmed NMR spectroscopy DFT calculations.