通过飞秒时间分辨光谱学揭示 9-苯基吖啶双分子中内部转换和系统间交叉的竞争关系

IF 3 4区 化学 Q3 CHEMISTRY, PHYSICAL
Ke Hu, Xiaoxiao He, PeiPei Jin, Xueli Wang, Prof. Haifeng Pan, Prof. Jinquan Chen
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引用次数: 0

摘要

9-苯基吖啶(9-PA)是一种重要的吖啶类药物,已被证实具有显著的抗癌活性,可用作光动力疗法(PDT)药物。同时,C9 位置的 C-C 单键在光激发后可能发生扭转,这使其成为对活细胞粘度变化做出反应的潜在探针。然而,人们对 9-PA 的光物理性质知之甚少。在这项研究中,我们利用飞秒时间分辨光谱法结合量子化学计算方法研究了 9-PA 在不同粘度溶液中的激发态动力学。值得注意的是,我们证明粘度会强烈影响 9-PA 初始填充的 S1(ππ*)态的失活路径。在低粘度溶液中,C9 的单键可能会在光激发后发生扭曲,从而形成一种有效的系统间交叉构象。然而,这种过程在高粘度溶液中受到抑制,导致内部转换(IC)产率提高了约 2.5 倍。本文提出了 9-PA 激发态失活机制的全貌。
本文章由计算机程序翻译,如有差异,请以英文原文为准。

Unravelling the Competition between Internal Conversion and Intersystem Crossing in Twisted molecule 9-Phenylacridine by Femtosecond Time-resolved Spectroscopy

Unravelling the Competition between Internal Conversion and Intersystem Crossing in Twisted molecule 9-Phenylacridine by Femtosecond Time-resolved Spectroscopy

9-Phenylacridine (9-PA) is an important acridine-based medicine that has been proven to possess significant anticancer activity and can be used as a photodynamic therapy (PDT) agent. Meanwhile, the possible twisting of the C−C single bond at the C9 position after photo-excitation makes it a potential probe responsive to changes in the viscosity of living cells. However, the photophysical properties of 9-PA is poorly understood. In this study, we utilized femtosecond time-resolved spectroscopy combined with quantum chemical calculation methods to investigate the excited state dynamics of 9-PA in solutions with different viscosities. Notably, we demonstrated that the viscosity could strongly influence the deactivation pathway of the initially populated S1 (ππ*) state of 9-PA. In low-viscosity solutions, the single bond at the C9 could twist after photo-excitation, leading to a conformation that shows efficient intersystem crossing. However, such process is suppressed in high-viscosity solutions, resulting a ~2.5 times higher internal conversion (IC) yield. A full picture of the excited state deactivation mechanism of 9-PA is proposed.

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来源期刊
ChemPhotoChem
ChemPhotoChem Chemistry-Physical and Theoretical Chemistry
CiteScore
5.80
自引率
5.40%
发文量
165
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