Correlation of solid-state order to optoelectronic behavior in heterocyclic oligomers. Issue 25 (7th June 2022)

• Record Type: Journal Article
• Authors: Karunathilaka, Dilan; Rajapakse, R. M. G.; Hardin, April E.; Sexton, Thomas More; Sparks, Nicholas E.; Mosely, Jacquelyn J.; Rheingold, Arnold L.; Hammer, Nathan I.; Tschumper, Gregory S.; Watkins, Davita L.
• Is Part Of: CrystEngComm. Volume 24:Issue 25(2022)
• Page Start: 4564
• Page End: 4572
• Publication Date: 2022-06-07
• Subjects: Crystals -- Periodicals; Crystal growth -- Periodicals; Crystallography -- Periodicals; Cristaux -- Périodiques; Cristaux -- Croissance -- Périodiques; Cristallographie -- Périodiques; 548
• DOI: 10.1039/d2ce00560c
• Languages: English
• ISSNs: 1466-8033

Abstract

Abstract : Here we address a longstanding challenge in the field of optoelectronic materials by evaluating the molecular and solid-state arrangements of heterocyclic oligomers and correlating their crystal structures to their optical properties. Abstract : A longstanding challenge in the field of optoelectronic materials, the effects of solid-state arrangement and morphology are still a prominent factor associated with small-molecule and polymer-based device performance. Here, mixed heterocyclic aromatic oligomers containing thiophene, furan and pyrazine are prepared alongside their methylated congeners. Their solution and solid-phase properties were studied via spectroscopic, electrochemical and single-crystal X-ray diffraction (XRD) analysis. Comparative analysis between solid-state packing arrangements and photophysical properties revealed optical band gaps as low as 1.7 eV with Stokes-shifts up to 130 nm and quantum yields of 12%. Results of the study aid in further understanding the effects of molecular and solid-state arrangements that give rise to unique optical and photophysical properties critical to enhancing optoelectronic behavior.