Hou Peng, Peschtrich Sebastian, Huber Nils, Feuerstein Wolfram, Bihlmeier Angela, Krummenacher Ivo, Schoch Roland, Klopper Wim, Breher Frank, Paradies Jan
Chemistry Department, Paderborn University, Warburger Straße 100, 33098, Paderborn, Germany.
Institute of Physical Chemistry, Karlsruhe Institute of Technology (KIT), Kaiserstraße 12, 76131, Karlsruhe, Germany.
Chemistry. 2022 Apr 22;28(23):e202200478. doi: 10.1002/chem.202200478. Epub 2022 Mar 29.
The synthesis and characterisation of a homologous series of quinoid sulfur-containing imidazolyl-substituted heteroacenes is described. The optoelectronic and magnetic properties were investigated by UV/vis, fluorescence and EPR spectroscopy as well as quantum-chemical calculations, and were compared to those of the corresponding benzo congener. The room-temperature and atmospherically stable quinoids display strong absorption in the NIR region between 678 and 819 nm. The dithieno[3,2-b:2',3'-d]thiophene and the thieno[2',3':4,5]thieno[3,2-b]thieno[2,3-d]thiophene derivatives were EPR active at room temperature. For the latter, variable-temperature EPR spectroscopy revealed the presence of a thermally accessible triplet state, with a singlet-triplet separation of 14.1 kJ mol .
本文描述了一系列含醌型硫的咪唑基取代杂并苯的合成与表征。通过紫外/可见光谱、荧光光谱、电子顺磁共振光谱以及量子化学计算研究了其光电和磁性能，并与相应的苯并同系物进行了比较。室温下大气稳定的醌型化合物在678至819 nm的近红外区域表现出强烈吸收。二噻吩并[3,2-b:2',3'-d]噻吩和噻吩并[2',3':4,5]噻吩并[3,2-b]噻吩并[2,3-d]噻吩衍生物在室温下具有电子顺磁共振活性。对于后者，变温电子顺磁共振光谱揭示了存在一个热可及的三重态，单重态-三重态分离能为14.1 kJ mol 。
