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

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.

SUBMITTER: He B

PROVIDER: S-EPMC6013794 | biostudies-literature | 2016 Jun

REPOSITORIES: biostudies-literature

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

He Bo B Zherebetskyy Danylo D Wang Hongxia H Kolaczkowski Matthew A MA Klivansky Liana M LM Tan Tianwei T Wang Linwang L Liu Yi Y

Chemical science 20160229 6

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 (<b>BAI</b>), 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 pr ...[more]

PMID: 30155029

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