Dual fluorescence of 2-(2 '-hydroxyphenyl) benzoxazole derivatives via the branched decays from the upper excited-state
Dual fluorescence of 2-(2 '-hydroxyphenyl) benzoxazole derivatives via the branched decays from the upper excited-state
复制标题
DOI：
10.1039/d1cp03546k
复制
发表时间：
2021
影响因子：
3.3
通讯作者：
Zhou Panwang
中科院分区：
文献类型：
--
作者：
Tang Zhe;Han Haiyun;Ding Junxia;Zhou Panwang
双荧光作为一种特殊的荧光现象，在各个领域得到了广泛的发展和应用。然而，目前对荧光发射通道的研究大多集中在第一激发态，而对如何通过上激发态控制荧光发射通道的研究相对较少。本文采用含时密度泛函理论方法，以2-（2′-羟基苯基）苯并恶唑（HBO）衍生物体系为例，研究了上激发态对双荧光的影响.根据计算结果，提出了一种新的双荧光机制，分别涉及从上激发态开始的不同衰变途径、通过振动弛豫的内转换途径和圆锥相交途径。这一研究具有潜在的应用价值，有助于确定如何通过上激发态控制荧光发射通道。
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.