Optical Cycling Functionalization of Arenes
| Autor: | Claire E. Dickerson, Wesley C. Campbell, Justin R. Caram, Anastassia N. Alexandrova, Guo-Zhu Zhu, Han Guo, Eric R. Hudson |
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| Rok vydání: | 2021 |
| Předmět: |
Materials science
010304 chemical physics Ligand Quantum sensor 01 natural sciences Coronene chemistry.chemical_compound chemistry Chemical physics Physical Sciences Chemical Sciences 0103 physical sciences Surface modification Molecule General Materials Science Physical and Theoretical Chemistry 010306 general physics Cycling Quantum information science |
| Zdroj: | The journal of physical chemistry letters, vol 12, iss 16 |
| ISSN: | 1948-7185 |
| Popis: | Closed, laser-induced optical transitions ("optical cycling transitions") of molecules can be used for state preparation and measurement in quantum information science and quantum sensing. Increasingly complex molecular species supporting optical cycling can provide new capabilities for quantum science, and it is not clear if there is a limit on their size or complexity. We explore Ca-O-L molecular constructs to support the optical cycling center, Ca, with ligands, L, being arenes. We find that L can be as large as coronene (i.e., CaOC24H11) without losing the diagonality of the Franck-Condon factor (FCF). Furthermore, L can be substituted with electron-withdrawing groups to improve the FCF. Larger L, beyond ∼7 rings, can disrupt the diagonality of the FCF by closing the HOMO-LUMO ligand electronic state gap and reordering with the local states on the cycling center. Overall, we find that optical cycling can be retained for arenes, and we offer a principle for their design. |
| Databáze: | OpenAIRE |
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