Stability, Aromaticity, and Photophysical Behaviors of Macrocyclic Molecules: A Theoretical Analysis

The macrocyclic molecules with terthiophene (TTH) isomers unit exhibit intriguing properties in terms of aromaticity, stability, and absorption. In this work, we theoretically designed a series of macrocyclic molecules featured with TTH and dithienothiophene (DTT) π-conjugated building units, which...

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Bibliographic Details
Main Authors: Wei Wei, Wenhui Ren, Wei Jian, Baohui Xia, Hongxing Zhang, Fu-Quan Bai, Wei Li
Format: Article
Language:English
Published: Frontiers Media S.A. 2020-09-01
Series:Frontiers in Chemistry
Subjects:
Online Access:https://www.frontiersin.org/article/10.3389/fchem.2020.00776/full