Dual fluorescence of 2-(2′-hydroxyphenyl) benzoxazole derivatives via the branched decays from the upper excited-state

Literature Information

Publication Date 2021-11-17
DOI 10.1039/D1CP03546K
Impact Factor 3.676
Authors

Zhe Tang, Haiyun Han, Junxia Ding, Panwang Zhou


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Abstract

As a special fluorescence phenomenon, double fluorescence has been widely developed and applied in various fields. Nevertheless, most of the research on fluorescence emission channels focuses on the first excited state, while the research on how to control the fluorescence emission channel through the upper excited state is relatively under-explored. Here, we use the time-dependent density functional theory method and consider the 2-(2′-hydroxyphenyl) benzoxazole (HBO) derivative system as an example to study the effect of upper excited states on double fluorescence. According to the calculation results, a new mechanism for the dual fluorescence was proposed, which involved the different decay pathways from the upper excited-state, the internal conversion through vibrational relaxation, and conical intersection, respectively. This research has potential value and can help in determining how to control the fluorescence emission channel through the upper excited state.

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Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics
CiteScore: 5.5
Self-citation Rate: 10.3%
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Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.

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