Control of Electron Transfer Processes in Multidimensional Arylamine-Based Mixed-Valence Compounds by Molecular Backbone Design,The Journal of Physical Chemistry A

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Control of Electron Transfer Processes in Multidimensional Arylamine-Based Mixed-Valence Compounds by Molecular Backbone Design
The Journal of Physical Chemistry A ( IF 2.7 ) Pub Date : 2021-09-02 , DOI: 10.1021/acs.jpca.1c05435
Agostina-L Capodilupo ₁ , Eduardo Fabiano _{2,

3} , Lorenzo Franco ₄ , Salvatore Gambino ₁ , Mauro Leoncini _{1,

5} , Gianluca Accorsi ₁ , Giuseppe Gigli _{1,

5}

Affiliation

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.

中文翻译：

通过分子骨架设计控制多维芳胺基混合价化合物中的电子转移过程

合成了四种具有三个二芳胺氧化还原中心和二苯并富烯作为核心桥的三角拓扑化合物。它们的自由基阳离子在三个氧化还原中心之间表现出吸引人的分子内电子转移途径，这取决于它们在核心桥上的位置。通过改变这些位置（在 2,7- 或 3,6- 上）和桥的长度，通过电子自交换途径实现了对分子内电子转移途径的控制。通过吸收光谱、电子顺磁共振光谱和（时间相关）密度泛函理论计算研究了这些过程。还进行了空穴迁移率测量，以将分子内电子转移与光电器件中可能应用的空穴传输能力相关联。

更新日期：2021-09-16

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