分子内力
电子转移
化学
价(化学)
密度泛函理论
光谱学
氧化还原
电子
电子顺磁共振
化学物理
拓扑(电路)
计算化学
光化学
核磁共振
立体化学
无机化学
物理
有机化学
组合数学
量子力学
数学
作者
Agostina Lina Capodilupo,Eduardo Fabiano,Lorenzo Franco,Salvatore Gambino,Mauro Leoncini,Gianluca Accorsi,Giuseppe Gigli
标识
DOI:10.1021/acs.jpca.1c05435
摘要
Four trigonal topology compounds with three diarylamines redox centers and dibenzofulvene as core bridge have been synthesized. Their radical cations exhibit appealing intramolecular electron transfer pathways between three redox centers, depending on their position on the core bridge. By changing such positions (on either 2,7- or 3,6-), and the length of the bridge, the control of the intramolecular electron transfer pathways was achieved through the electron self-exchange route. These processes were investigated by absorption spectroscopy, electron paramagnetic resonance spectroscopy, and (time-dependent) density functional theory calculations. Hole mobility measurements were carried out as well, to correlate the intramolecular electron transfer with the hole-transporting ability for possible applications in optoelectronic devices.
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