Photoswitching Molecules Functionalized with Optical Cycling Centers Provide a Novel Platform for Studying Chemical Transformations in Ultracold Molecules.

Autor: Wójcik P; Department of Chemistry, University of Southern California, Los Angeles, California 90089, United States., Khvorost T; Department of Chemistry and Biochemistry, University of California, Los Angeles, California 90095, United States., Lao G; Department of Physics and Astronomy, University of California, Los Angeles, California 90095, United States., Zhu GZ; Department of Physics and Astronomy, University of California, Los Angeles, California 90095, United States., Macias A Jr; Department of Chemistry and Biochemistry, University of California, Los Angeles, California 90095, United States., Caram JR; Department of Chemistry and Biochemistry, University of California, Los Angeles, California 90095, United States.; Center for Quantum Science and Engineering, University of California, Los Angeles, California 90095, United States., Campbell WC; Department of Physics and Astronomy, University of California, Los Angeles, California 90095, United States.; Center for Quantum Science and Engineering, University of California, Los Angeles, California 90095, United States.; Challenge Institute for Quantum Computation, University of California, Los Angeles, California 90095, United States., García-Garibay MA; Department of Chemistry and Biochemistry, University of California, Los Angeles, California 90095, United States., Hudson ER; Department of Physics and Astronomy, University of California, Los Angeles, California 90095, United States.; Center for Quantum Science and Engineering, University of California, Los Angeles, California 90095, United States.; Challenge Institute for Quantum Computation, University of California, Los Angeles, California 90095, United States., Alexandrova AN; Department of Chemistry and Biochemistry, University of California, Los Angeles, California 90095, United States.; Center for Quantum Science and Engineering, University of California, Los Angeles, California 90095, United States., Krylov AI; Department of Chemistry, University of Southern California, Los Angeles, California 90089, United States.
Jazyk: angličtina
Zdroj: The journal of physical chemistry. A [J Phys Chem A] 2024 Dec 19. Date of Electronic Publication: 2024 Dec 19.
DOI: 10.1021/acs.jpca.4c06320
Abstrakt: A novel molecular structure that bridges the fields of molecular optical cycling and 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; and (3) whether the OCC can serve as a spectroscopic probe of isomerization. The experimental feasibility of the proposed design and the advantages that organic synthesis can offer in the further functionalization of this molecular scaffold are also discussed. This work brings into the field of molecular optical cycling a new dimension of chemical complexity intrinsic to only polyatomic molecules.
Databáze: MEDLINE
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