Why is the Energy of the Singly Occupied Orbital in Some Radicals below the Highest Occupied Orbital Energy?
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DOI: 10.1021/acs.chemmater.1c00683
Abstract: Organic (mono)radicals where the singly occupied molecular orbital (SOMO) is energetically below the highest occupied molecular orbital (HOMO) level have recently attracted much interest. A clear understanding of the electronic factors that lead to this… read more here.
Keywords: energy singly; singly occupied; energy; occupied orbital ... See more keywords