Effect of curvature and placement of donor and acceptor units in cycloparaphenylenes: a computational study.

Chemical Science
Terri LovellRamesh Jasti

Abstract

Cycloparaphenylenes have promise as novel fluorescent materials. However, shifting their fluorescence beyond 510 nm is difficult. Herein, we computationally explore the effect of incorporating electron accepting and electron donating units on CPP photophysical properties at the CAM-B3LYP/6-311G** level. We demonstrate that incorporation of donor and acceptor units may shift the CPP fluorescence as far as 1193 nm. This computational work directs the synthesis of bright red-emitting CPPs. Furthermore, the nanohoop architecture allows for interrogation of strain effects on common conjugated polymer donor and acceptor units. Strain results in a bathochromic shift versus linear variants, demonstrating the value of using strain to push the limits of low band gap materials.

References

Dec 26, 2001·Chemical Reviews·D T McQuadeT M Swager
Jan 28, 2014·Journal of the American Chemical Society·Eiichi KayaharaShigeru Yamago
May 11, 2016·ACS Central Science·Evan R DarziRamesh Jasti
May 11, 2016·ACS Central Science·Melissa Ball, Colin Nuckolls
Aug 11, 2016·Scientific Reports·R Franklin-MergarejoS Fernandez-Alberti
Dec 13, 2016·Journal of the American Chemical Society·Boyuan ZhangYu Zhong
May 30, 2017·Acta Pharmacologica Sinica·Cheng-Gen QianZhen Gu
Jun 2, 2017·Chemical Science·Assunta MarrocchiLuigi Vaccaro
Dec 18, 2018·Physical Chemistry Chemical Physics : PCCP·Daniel HashemiJohn Kieffer
Jan 15, 2020·Journal of the American Chemical Society·Garvin M PetersJohn D Tovar
Jan 16, 2020·Journal of Materials Chemistry. B, Materials for Biology and Medicine·Thais Fedatto AbelhaLea Ann Dailey
Mar 23, 2020·Chemical Science·Curtis E ColwellRamesh Jasti

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Citations

Jan 12, 2021·Angewandte Chemie·Ke LiZhe Sun
Sep 3, 2021·ACS Nano·Terri C LovellRamesh Jasti

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Software Mentioned

GaussSum
StrainViz

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