Photophysical Constants of the Tetraoxa[8]Circulene Molecule


如何引用文章

全文:

开放存取 开放存取
受限制的访问 ##reader.subscriptionAccessGranted##
受限制的访问 订阅存取

详细

The rate constants of photophysical processes (radiation rate constant, internal conversion rate constant, and quantum fluorescence yield) have been calculated for the tetraoxa[8]circulene molecule by the INDO/S, TDDFT, and CC2 methods. It is confirmed that the doubly degenerate triplet level Т2 and the level Т1 are located below the first singlet excited level S1. According to the selection rules for the angular momentum, the spin-orbit interaction between the levels S1 and T1 (S1 and T2) is equal to zero. Therefore, the internal conversion is the only nonradiative channel in this molecule. The results of calculations also demonstrate that values of the internal conversion rate constant and the quantum fluorescence yield obtained by the INDO/S method are incorrect.

作者简介

Yu. Konyshev

National Research Tomsk State University

编辑信件的主要联系方式.
Email: konyshevyuri@gmail.com
俄罗斯联邦, Tomsk

V. Cherepanov

National Research Tomsk State University

Email: konyshevyuri@gmail.com
俄罗斯联邦, Tomsk

G. Baryshnikov

National Research Tomsk State University

Email: konyshevyuri@gmail.com
俄罗斯联邦, Tomsk

R. Valiev

National Research Tomsk State University

Email: konyshevyuri@gmail.com
俄罗斯联邦, Tomsk

补充文件

附件文件
动作
1. JATS XML

版权所有 © Springer Science+Business Media, LLC, part of Springer Nature, 2019