Which isomer is better for charge transport: anti- or syn-?

Abstract

This review discusses the isomeric effect on the charge transport of organic semiconductors experimentally and theoretically.

Greater than 10 cm2 V−1 s−1: A breakthrough of organic semiconductors for field‐effect transistors

“…[1][2][3][4][5][6][7] Organic field-effect transistors (OFETs) are the forms of electronic devices that apply organic semiconductors as the semiconducting layers and have been received intensive attention in recent years. [8][9][10][11][12][13] As one of the most important parameters, the charge carrier mobility of OFETs is used to determine how fast the charge carriers of organic semiconductors moved under an applied electric field. In the last 40 years, great achievements have been made to extend the research breadth and depth in organic electronics.…”

High-throughput virtual screening for organic electronics: a comparative study of alternative strategies

“…Hopping transport theory, despite being not fully applicable to molecular semiconductors, due to its simplicity and low computational cost, remains a frequent method of choice in the majority of HTVS studies, including those using large databases, [269][270][271] as well as those evaluating smaller libraries of structures. [272][273][274][275] Applying this theory to screen the CSD, as the world's largest repository of small organic/metal-organic molecules whose crystalline structures are experimentally known, 186 C. Schober et al made an important contribution demonstrating, for the first time, that large scale screening of materials for transport applications is possible. 269 The transfer integral and the reorganisation energy are the main components of the hopping transport theory.…”

Exploring the Photocyclization Pathways of Styrylthiophenes in the Synthesis of Thiahelicenes: When the Theory and Experiment Meet

“…Yellow solid; mp 203.8°C (corrected); R f = 0.55 (hexane−EtOAc 9:1); 1 3,14-Dithia [7]helicene (1). 5,14 The reaction was run in parallel in two oven-dried Schlenk tubes, loaded with a suspension of 3,6bis((E)-2-(thiophen-2-yl)vinyl)phenanthrene (19.73 mg; 0.05 mmol; 1 equiv), I 2 (38.07 mg; 0.15 mmol; 3 equiv), and 1,2-epoxybutane (360.50 mg; 5 mmol; 100 equiv) in 100 mL of benzene each. The tubes were provided with vertical condensers connected to a chiller, and Ar was bubbled into the solution during the reaction.…”

“…Light brown, near colorless crystals; R f = 0.48 (hexane/AcOEt 9:1); 1 1,16-Dithia [7]helicene (2). 5 In this case, a suspension of 3,6bis((E)-2-(thiophen-3-yl)vinyl)phenanthrene (19.72 mg; 0.05 mmol; 1 equiv), I 2 (38.07 mg; 0.15 mmol, 3 equiv), and 1,2-epoxybutane (360.50 mg; 5 mmol; 100 equiv) in benzene was irradiated following the same overall methodology described above for the exo isomer. A 50% yield was calculated by 1 H NMR using 1,3,5-trimethoxybenzene (99%) as the internal standard.…”