SOMO-HOMO Conversion in Triplet Carbenes.

Ryo Murata, Zhe Wang, Yuki Miyazawa, Ivana Antol, Shigeru Yamago, Manabu Abe

Organic letters 2021 Jul 02

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In this study, the SOMO-HOMO conversion has been shown for the first time in triplet carbenes embedded in cycloparaphenylene units. The high-lying HOMO originating from the curved π-conjugated system and the low-lying SOMO-1 originating due to the small carbene angle are the key to endowing this interesting electronic configuration. Furthermore, simple planar triplet carbenes such as fluorenylidene were found to possess SOMO-HOMO energy-converted electronic configurations.

Citation

Ryo Murata, Zhe Wang, Yuki Miyazawa, Ivana Antol, Shigeru Yamago, Manabu Abe. SOMO-HOMO Conversion in Triplet Carbenes. Organic letters. 2021 Jul 02;23(13):4955-4959

PMID: 34048267

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