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

IF 3 4区化学 Q3 CHEMISTRY, PHYSICAL

ChemPhotoChem Pub Date : 2024-04-26 DOI:10.1002/cptc.202400108

Ke Hu, Xiaoxiao He, PeiPei Jin, Xueli Wang, Prof. Haifeng Pan, Prof. Jinquan Chen

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Abstract

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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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

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。

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来源期刊

ChemPhotoChem Chemistry-Physical and Theoretical Chemistry

CiteScore

5.80

自引率

5.40%

发文量

165

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