Rational tuning of high-energy visible light absorption for panchromatic small molecules by a two-dimensional conjugation approach. Issue 6 (7th March 2016)

• Record Type: Journal Article
• Authors: He, Bo; Zherebetskyy, Danylo; Wang, Hongxia; Kolaczkowski, Matthew A.; Klivansky, Liana M.; Tan, Tianwei; Wang, Linwang; Liu, Yi
• Is Part Of: Chemical science. Volume 7:Issue 6(2016:Jun.)
• Page Start: 3857
• Page End: 3861
• Publication Date: 2016-03-07
• Subjects: Chemistry -- Periodicals; 540.5
• DOI: 10.1039/c6sc00428h
• Languages: English
• ISSNs: 2041-6520

Abstract

Abstract : Rational design leads to panchromatic absorption in small molecules by extension of conjugation on two orthogonal axes of an indigo-derived electron acceptor. 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.