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Rational tuning of high-energy visible light absorption for panchromatic small molecules by a two-dimensional conjugation approach.

  • Author(s): He, Bo
  • Zherebetskyy, Danylo
  • Wang, Hongxia
  • Kolaczkowski, Matthew A
  • Klivansky, Liana M
  • Tan, Tianwei
  • Wang, Linwang
  • Liu, Yi
  • et al.
Abstract

We have demonstrated a rational two-dimensional (2D) conjugation approach towards achieving panchromatic absorption of small molecules. By extending the conjugation on two orthogonal axes of an electron acceptor, namely, bay-annulated indigo (BAI), the optical absorptions could be tuned independently in both high- and low-energy regions. The unconventional modulation of the high-energy absorption is rationalized by density functional theory (DFT) calculations. Such a 2D tuning strategy provides novel guidelines for the design of molecular materials with tailored optoelectronic properties.

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