GNE-064: A Potent, Selective, and Orally Bioavailable Chemical Probe for the Bromodomains of SMARCA2
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Taylor, Alexander M.↗
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Unveiling the Multielectron Acceptor Properties of π-Expanded Pyracylene: Reversible Boat to Chair Conversion
In this work, the chemical reduction of a hybrid pyracylene-hexa-peri-hexabenzocoronene (HPH) nanographene was investigated with different alkali metals (Na, K, Rb) to reveal its remarkable multielectron acceptor abilities. The UV–vis and 1 H NMR spectroscopy monitoring of the stepwise reduction reactions supports the existence of all intermediate reduction states up to the hexaanion for HPH. Tuning the experimental conditions enabled the synthesis of the HPH anions with gradually increasing reduction states (up to –5) isolated with different alkali metal ions as crystalline materials. The single-crystal X-ray diffraction structure analysis demonstrates that the highly negatively charged HPH anions (–4 and –5) exhibit a drastic geometry change from boat-shaped (observed in the neutral parent, mono- and dianions) to a chair conformation, which was proved to be fully reversible by NMR spectroscopy. DFT calculations show that this geometry change is induced by an enhanced interaction between the coordinated metal ions and negatively charged HPH core in the chair conformation.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
Stepwise reduction of an asymmetric π-expanded pyracylene towards the crystalline radical trianion
The stepwise reduction by 1–3 electrons of a π-expanded pyracylene with K and Rb reveals that in-build core asymmetry affects the spin-density distribution in the mono- and trianion radicals, as confirmed by EPR spectroscopy and DFT calculations.
Zhu, Yikun [Department of Chemistry, University at↗