On the photophysics of metallophthalocyanine-based photothermal sensitizers: Synergism between theory and experiment
On the photophysics of metallophthalocyanine-based photothermal sensitizers: Synergism between theory and experiment
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DOI：
10.1016/j.jinorgbio.2007.10.029
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发表时间：
2008-03-01
影响因子：
3.9
通讯作者：
Rosa, Angela
中科院分区：
文献类型：
--
作者：
Ricciardi, Giampaolo;Soldatova, Alexandra V.;Rosa, Angela
全面了解控制金属酞菁基光敏剂效率的因素需要了解它们的激发态动力学。这只能在已知位于光生态和基态之间的激发态（通常是光谱沉默）的性质和能量时才能得到。本文综述了两种很有前途的金属酞菁光敏剂NiPc(OBu)(8)和NiNc(OBu)8的激发态失活机理。结果表明，时间依赖密度泛函理论（TDDFT）方法能够提供沿弛豫路径低洼激发态性质和能量的可靠信息。TDDFT计算和超快实验一致表明，Pc环的苯并环化通过诱导S1（pi, pi*）态和基态之间激发态的相对能量发生实质性变化，改变了光生S1（pi, pi*）态的光失活机制。(C) 2007爱思唯尔公司版权所有。
A comprehensive understanding of the factors governing the efficiency of metallophthalocyanine-based photothermal sensitizers requires the knowledge of their excited-state dynamics. This can only be properly gained when the nature and energy of the excited states (often spectroscopically silent) lying between the photogenerated state and the ground state are known. Here the excited state deactivation mechanism of two very promising metallophthalocyanine-based photothermal sensitizers, NiPc(OBu)(8) and NiNc(OBu)8, is reviewed. It is shown that time dependent density functional theory (TDDFT) methods are capable to provide reliable information on the nature and energies of the low-lying excited states along the relaxation pathways. TDDFT calculations and ultrafast experiments consistently show that benzoannulation of the Pc ring modifies the photodeactivation mechanism of the photogenerated S1(pi, pi*) state by inducing substantial changes in the relative energies of the excited states lying between the S1(pi, pi*) state and the ground state. (C) 2007 Elsevier Inc. All rights reserved.