Generation and Characterization of the Charge-Transferred Diradical Complex CaCO2 with an Open-Shell Singlet Ground State.
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DOI: 10.1021/jacs.2c02768
Abstract: The CaCO2 complex is generated via the reaction of excited-state calcium atom with carbon dioxide in a solid neon matrix. Infrared absorption spectroscopy and quantum chemical calculations reveal that the complex has a planar four-membered… read more here.
Keywords: state; shell singlet; open shell; singlet ground ... See more keywords