High-Resolution Laser Spectroscopy of a Functionalized Aromatic Molecule

J Phys Chem Lett. 2022 Nov 24;13(46):10771-10777. doi: 10.1021/acs.jpclett.2c03041. Epub 2022 Nov 14.

Abstract

We present a high-resolution laser spectroscopic study of the Ã2B2-X̃2A1 and B̃2B1-X̃2A1 transitions of calcium(I) phenoxide, CaOPh (CaOC6H5). The rotationally resolved band systems are analyzed using an effective Hamiltonian model and are accurately modeled as independent perpendicular (b- or c-type) transitions. The structure of calcium monophenoxide is compared to previously observed Ca-containing radicals, and implications for direct laser cooling are discussed. This work demonstrates that functionalization of aromatic molecules with optical cycling centers can preserve many of the properties needed for laser-based control.