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Synthesis and Photophysical Properties of Small Helical Carbon Nanohoops Combined with Computational Studies on Racemization Pathway. | LitMetric

AI Article Synopsis

  • Two helical carbon nanorings, [6]CPPNap and [6]CPPAn, were successfully synthesized with small ring sizes.
  • The structures of these compounds were confirmed through NMR and HR-MS, with additional X-ray single-crystal data for [6]CPPNap.
  • Investigations included strain energy and racemization through DFT calculations, revealing that smaller rings lead to greater strain and higher energy barriers, along with various photophysical property analyses.

Article Abstract

We herein report the facile synthesis of two helical carbon nanorings with small ring sizes, cyclo[6]paraphenylene-1,5-naphthylene ([6]CPPNap), and cyclo[6]paraphenylene-1,5-anthrylene ([6]CPPAn). The structures were determined by NMR and HR-MS. X-ray single-crystal data of [6]CPPNap was also achieved. The strain energy and racemization processes were investigated by DFT calculations. The reduced ring sizes result in increased ring strain and elevated energy barriers. The photophysical properties were studied by UV-Vis absorption, fluorescence emission, and time-resolved fluorescence decay.

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http://dx.doi.org/10.1002/cplu.202400359DOI Listing

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