发色团-溶剂反应导致高效室温磷光数据集

本数据是针对考核指标3.1提出的多种合成手段实现分子自旋轨道耦合效应可调，开发了利用主客体相互作用实现自旋轨道耦合调控，发现发色团-溶剂反应形成的主客体掺杂物导致高效室温磷光。高效的纯有机室温磷光（RTP）难以获取且机理不明，本项目发现一个结构类似的反应副产物（含量万分之一）可以导致高效的长寿命室温磷光。项目组通过精细的对比实验提出了发光的来源，并利用单晶XRD和计算对发光机理进行解释，此工作有助于加深对有机RTP的理解和新型材料的开发。

This dataset is developed to achieve tunable molecular spin-orbit coupling effects via multiple synthetic strategies proposed in evaluation index 3.1. A method for regulating spin-orbit coupling using host-guest interactions has been established, and it is discovered that host-guest dopants formed through chromophore-solvent reactions can induce efficient room-temperature phosphorescence (RTP). Efficient purely organic room-temperature phosphorescence is rarely obtainable and its underlying mechanism remains unclear. In this project, a structurally similar reaction byproduct at a concentration of 10 parts per million was found to trigger efficient long-lived room-temperature phosphorescence. The research team proposed the origin of the luminescence via carefully designed comparative experiments, and elucidated the luminescence mechanism using single-crystal X-ray diffraction and computational analyses. This work facilitates a deeper understanding of organic RTP and the development of novel functional materials.

搜集汇总

背景与挑战

背景概述

该数据集研究了发色团-溶剂反应导致的高效室温磷光现象，通过主客体相互作用调控自旋轨道耦合，发现反应副产物可产生长寿命磷光。数据集包含41个文件，总大小为11.82MB，涉及旋轨耦合、室温磷光等关键词，对有机RTP材料开发有重要意义。