Dr. Elise Lognon, Prof. Dr. Alain Burger, Prof. Dr. Elise Dumont, Prof. Dr. Antonio Monari
{"title":"Effect of Microhydration in Tuning the Photophysical Behavior of a Luminescent DNA Probe Revealed by Non-Adiabatic Dynamics","authors":"Dr. Elise Lognon, Prof. Dr. Alain Burger, Prof. Dr. Elise Dumont, Prof. Dr. Antonio Monari","doi":"10.1002/cptc.202400078","DOIUrl":null,"url":null,"abstract":"<p>We report non-adiabatic dynamics, performed in the surface hopping formalism, of 2-thienyl-3-hydroxychromone, an environment-dependent luminescent organic DNA probe. In particular we have shown that the first shell solvent water molecules undergo a rather complex reorganization upon light excitation. This involves also the triggering of a water-mediated proton transfer process which leads to the formation of the tautomeric structure. The presence of this solvent-mediated transfer mechanism globally diminishes the intersystem crossing efficiency, and hence the population of the triplet state manifold, as compared to the non-solvated systems. Our results also point out the non-innocent role of solvent networks in tuning complex photophysical processes, while opening competitive relaxation channels.</p>","PeriodicalId":10108,"journal":{"name":"ChemPhotoChem","volume":"8 9","pages":""},"PeriodicalIF":3.0000,"publicationDate":"2024-04-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/cptc.202400078","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"ChemPhotoChem","FirstCategoryId":"92","ListUrlMain":"https://onlinelibrary.wiley.com/doi/10.1002/cptc.202400078","RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q3","JCRName":"CHEMISTRY, PHYSICAL","Score":null,"Total":0}
引用次数: 0
Abstract
We report non-adiabatic dynamics, performed in the surface hopping formalism, of 2-thienyl-3-hydroxychromone, an environment-dependent luminescent organic DNA probe. In particular we have shown that the first shell solvent water molecules undergo a rather complex reorganization upon light excitation. This involves also the triggering of a water-mediated proton transfer process which leads to the formation of the tautomeric structure. The presence of this solvent-mediated transfer mechanism globally diminishes the intersystem crossing efficiency, and hence the population of the triplet state manifold, as compared to the non-solvated systems. Our results also point out the non-innocent role of solvent networks in tuning complex photophysical processes, while opening competitive relaxation channels.
我们报告了一种环境依赖性发光有机 DNA 探针的非绝热动力学，该动力学是在表面跳变形式主义下进行的。我们特别展示了第一壳溶剂水分子在光激发时经历的相当复杂的重组过程。这其中还包括引发水介导的质子转移过程，从而形成同分异构结构。与非溶剂系统相比，这种溶剂介导的转移机制在整体上降低了系统间的交叉效率，从而减少了三重态流形的数量。我们的研究结果还指出了溶剂网络在调整复杂的光物理过程中的非无辜作用，同时还打开了竞争性的弛豫通道。
ChemPhotoChemChemistry-Physical and Theoretical Chemistry
CiteScore
5.80
自引率
5.40%
发文量
165
期刊介绍：
Light plays a crucial role in natural processes and leads to exciting phenomena in molecules and materials. ChemPhotoChem welcomes exceptional international research in the entire scope of pure and applied photochemistry, photobiology, and photophysics. Our thorough editorial practices aid us in publishing authoritative research fast. We support the photochemistry community to be a leading light in science.
We understand the huge pressures the scientific community is facing every day and we want to support you. Chemistry Europe is an association of 16 chemical societies from 15 European countries. Run by chemists, for chemists—we evaluate, publish, disseminate, and amplify the scientific excellence of chemistry researchers from around the globe.
求助内容：
应助结果提醒方式：
京公网安备 11010802042870号
