当前位置: X-MOL 学术J. Phys. Chem. B › 论文详情
Our official English website, www.x-mol.net, welcomes your feedback! (Note: you will need to create a separate account there.)
Persubstituted Triphenylamine Bearing Zinc Porphyrin to Host Endohedral Fullerene, Sc3N@C80: Formation and Excited State Electron Transfer.
The Journal of Physical Chemistry B ( IF 3.3 ) Pub Date : 2020-06-11 , DOI: 10.1021/acs.jpcb.0c04392
Muniappan Sankar 1 , Pinki Rathi 1 , Ashwin Ganesan 2 , Sairaman Seetharaman 2 , Paul A Karr 3 , Francis D'Souza 2
Affiliation  

A persubstituted porphyrin with eight entities of triphenylamines at the β-pyrrole positions of a zinc tetraphenylporphyrin, 1, was newly synthesized and characterized. Due to the severe nonplanar distortion caused by the peripheral, electron rich substituents, the zinc porphyrin was able to comfortably bind a relatively large endohedral fullerene, Sc3N@C80, to form a new class of donor–acceptor-type host–guest complex. Spectral, computational, and electrochemical studies were systematically performed to evaluate the binding, spatial geometry, and redox properties of the host–guest system. Further, free-energy calculations were performed to seek the thermodynamic feasibility of excited state charge transfer. Finally, transient absorption spectral studies at different time scales were performed to secure evidence and kinetic information on excited state charge transfer leading to the 1+:Sc3N@C80 charge separated species. The present unprecedented, highly functionalized material with electron rich substituents carries zinc porphyrin as a photoactive host to large endohedral fullerenes, and its ability to undergo excited state electron transfer opens up new avenues to build photoactive host–guest systems relevant to light energy conversion and optoelectronic applications.

中文翻译:

含卟啉锌的全取代三苯胺,可以容纳富勒烯内表面富勒烯,Sc3N @ C80:形成和激发态电子转移。

新合成并表征了在八苯基卟啉锌1的β-吡咯位置具有八实体三苯胺的全取代卟啉。由于外围富含电子的取代基引起的严重的非平面畸变,卟啉锌能够舒适地结合相对较大的内面富勒烯Sc 3 N @ C 80,以形成一类新的供体-受体型宿主-客体复合体。系统地进行了光谱,计算和电化学研究,以评估主客体系统的结合,空间几何形状和氧化还原特性。此外,进行自由能计算以寻找激发态电荷转移的热力学可行性。最后,在不同的时间尺度上进行了瞬态吸收光谱研究,以确保有关激发态电荷转移导致1 +:Sc 3 N @ C 80 –的证据和动力学信息。充电分离的物种。目前具有空域电子富集性的,前所未有的,高度功能化的材料将卟啉锌作为大型内面富勒烯的光活性主体,其经历激发态电子转移的能力为建立与光能转换和光电相关的光活性主体-客体系统开辟了新途径。应用程序。
更新日期:2020-06-11
down
wechat
bug