Excited state dynamics of a Bodipy derivative with a twisted molecular structure: Combined experimental and theoretical studies.

IF 3.1 2区 化学 Q3 CHEMISTRY, PHYSICAL Journal of Chemical Physics Pub Date : 2025-02-07 DOI:10.1063/5.0245843
Bei Li, Sheng Liao, Jiayu Li, Xi Chen, Xue Zhang, Jianzhang Zhao, Ming-De Li, Bernhard Dick, Gloria Mazzone, Gagik G Gurzadyan
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Abstract

The photophysical properties of a boron dipyrromethene (Bodipy, BDP) derivative (BDP-SA) in which one F atom at the BDP core was replaced by an O atom and condensed with salicylaldehyde were investigated. This compound has a twisted molecular structure and unusually low fluorescence quantum yield (1% in toluene). No intersystem crossing was observed with a nanosecond transient absorption study. The triplet state lifetime of BDP-SA was determined to be 115 μs by photosensitizing. Femtosecond transient absorption shows a structure relaxation of ∼1.5 ps for the S1 excited state. Theoretical studies show conical intersections, which are responsible for the efficient non-radiative decay of the S1 state, which has extremely weak fluorescence.

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具有扭曲分子结构的Bodipy衍生物的激发态动力学:实验与理论的结合研究。
研究了一种硼二吡咯甲烷(Bodipy, BDP)衍生物(BDP- sa)的光物理性质,该衍生物在BDP核心处的F原子被O原子取代,并与水杨醛缩合。该化合物具有扭曲的分子结构和异常低的荧光量子产率(在甲苯中为1%)。在纳秒瞬态吸收研究中没有观察到系统间交叉。光敏法测定BDP-SA的三重态寿命为115 μs。飞秒瞬态吸收显示S1激发态的结构弛豫为~ 1.5 ps。理论研究表明,具有极弱荧光的S1态的有效非辐射衰变是由锥形相交引起的。
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来源期刊
Journal of Chemical Physics
Journal of Chemical Physics 物理-物理:原子、分子和化学物理
CiteScore
7.40
自引率
15.90%
发文量
1615
审稿时长
2 months
期刊介绍: The Journal of Chemical Physics publishes quantitative and rigorous science of long-lasting value in methods and applications of chemical physics. The Journal also publishes brief Communications of significant new findings, Perspectives on the latest advances in the field, and Special Topic issues. The Journal focuses on innovative research in experimental and theoretical areas of chemical physics, including spectroscopy, dynamics, kinetics, statistical mechanics, and quantum mechanics. In addition, topical areas such as polymers, soft matter, materials, surfaces/interfaces, and systems of biological relevance are of increasing importance. Topical coverage includes: Theoretical Methods and Algorithms Advanced Experimental Techniques Atoms, Molecules, and Clusters Liquids, Glasses, and Crystals Surfaces, Interfaces, and Materials Polymers and Soft Matter Biological Molecules and Networks.
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