Photoswitching molecules functionalized with optical cycling centers provide a novel platform for studying chemical transformations in ultracold molecules

Paweł, Wójcik, Taras , Khvorost, Guanming , Lao, Guozhu, Zhu, Antonio, Macias Jr, Justin, Caram, Wesley, Campbell, Miguel, García-Garibay, Eric, Hudson, Anastassia , Alexandrova, Anna, Krylov
{"title":"Photoswitching molecules functionalized with optical cycling centers provide a novel platform for studying chemical transformations in ultracold molecules","authors":"Paweł, Wójcik, Taras , Khvorost, Guanming , Lao, Guozhu, Zhu, Antonio, Macias Jr, Justin, Caram, Wesley, Campbell, Miguel, García-Garibay, Eric, Hudson, Anastassia , Alexandrova, Anna, Krylov","doi":"10.26434/chemrxiv-2024-l71cj","DOIUrl":null,"url":null,"abstract":"A novel molecular structure that merges the fields of molecular optical cycling with molecular photoswitching is presented. It is based on a photoswitching molecule azobenzene functionalized with one and two CaO- groups, which can act as optical cycling centers (OCCs). This paper characterizes the electronic structure of the resulting model systems, focusing on three questions: (1) how the electronic states of the photoswitch are impacted by a functionalization with an OCC; (2) how the states of the OCC are impacted by the scaffold of the photoswitch; (3) whether the OCC can serve as spectroscopic probe of isomerization. The experimental feasibility of the proposed design and the advantages that organic synthesis can offer in fur- ther functionalization of the molecular scaffold are also discussed. This work brings into the field of molecular optical cycling a new dimension of chemical complexity, intrinsic only to polyatomic molecules.","PeriodicalId":9813,"journal":{"name":"ChemRxiv","volume":null,"pages":null},"PeriodicalIF":0.0000,"publicationDate":"2024-09-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"ChemRxiv","FirstCategoryId":"1085","ListUrlMain":"https://doi.org/10.26434/chemrxiv-2024-l71cj","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"","JCRName":"","Score":null,"Total":0}
引用次数: 0

Abstract

A novel molecular structure that merges the fields of molecular optical cycling with molecular photoswitching is presented. It is based on a photoswitching molecule azobenzene functionalized with one and two CaO- groups, which can act as optical cycling centers (OCCs). This paper characterizes the electronic structure of the resulting model systems, focusing on three questions: (1) how the electronic states of the photoswitch are impacted by a functionalization with an OCC; (2) how the states of the OCC are impacted by the scaffold of the photoswitch; (3) whether the OCC can serve as spectroscopic probe of isomerization. The experimental feasibility of the proposed design and the advantages that organic synthesis can offer in fur- ther functionalization of the molecular scaffold are also discussed. This work brings into the field of molecular optical cycling a new dimension of chemical complexity, intrinsic only to polyatomic molecules.
具有光学循环中心功能的光开关分子为研究超冷分子的化学变化提供了新平台
本文介绍了一种融合分子光循环和分子光开关领域的新型分子结构。它基于一种光开关分子偶氮苯,该分子被一个和两个 CaO-基团官能化,这两个基团可作为光学循环中心(OCC)。本文描述了由此产生的模型系统的电子结构,重点讨论了三个问题:(1) 光开关的电子状态如何受到 OCC 功能化的影响;(2) OCC 的状态如何受到光开关支架的影响;(3) OCC 是否可以作为异构化的光谱探针。此外,还讨论了拟议设计的实验可行性以及有机合成在分子支架进一步功能化方面的优势。这项工作为分子光学循环领域带来了化学复杂性的新维度,而这种复杂性只有多原子分子才具有。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
求助全文
约1分钟内获得全文 求助全文
来源期刊
自引率
0.00%
发文量
0
×
引用
GB/T 7714-2015
复制
MLA
复制
APA
复制
导出至
BibTeX EndNote RefMan NoteFirst NoteExpress
×
提示
您的信息不完整,为了账户安全,请先补充。
现在去补充
×
提示
您因"违规操作"
具体请查看互助需知
我知道了
×
提示
确定
请完成安全验证×
copy
已复制链接
快去分享给好友吧!
我知道了
右上角分享
点击右上角分享
0
联系我们:info@booksci.cn Book学术提供免费学术资源搜索服务,方便国内外学者检索中英文文献。致力于提供最便捷和优质的服务体验。 Copyright © 2023 布克学术 All rights reserved.
京ICP备2023020795号-1
ghs 京公网安备 11010802042870号
Book学术文献互助
Book学术文献互助群
群 号:481959085
Book学术官方微信