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Towards Ultracold Organic Chemistry: Prospects of Laser Cooling Large Organic Molecules

preprint
submitted on 25.06.2020, 20:15 and posted on 06.07.2020, 21:08 by Maxim Ivanov, Felix Bangerter, Paweł Wójcik, Anna I. Krylov
Ultracold organic chemistry enables studies of reaction dynamics and mechanisms in quantum regime. Access to ultracold molecules hinges on the ability to efficiently scatter
multiple photons via quasi-closed cycling transitions and, in practice, is complicated by the complex electronic structure of polyatomic molecules. Using equation-of-motion coupled-cluster (EOM-CC) calculations, we demonstrate that an alkaline earth metal attached to various aromatic ligands (such as benzene, phenol, cyclopentadienyl and pyrrolide) feature nearly-closed cycling transitions with only a few additional repump lasers. We also show that aromatic ligands such as benzene can accommodate multiple cycling centers in various geometrical configurations and may open new avenues in quantum information science, precision measurements, and ultracold chemistry.

Funding

“Molecules Functionalized with Optical Cycling Centers” collaboration, supported by the U.S. Department of Energy (Award DE-SC0019245)

History

Email Address of Submitting Author

pawel.wojci@usc.edu

Institution

University of Southern California

Country

USA

ORCID For Submitting Author

0000-0002-8403-9097

Declaration of Conflict of Interest

A.I.K. is the President and a part-owner of Q-Chem, Inc.

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in The Journal of Physical Chemistry Letters

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