Singly Occupied Molecular Orbital−Highest Occupied Molecular Orbital (SOMO−HOMO) Conversion

Ryo Murata, Zhe Wang, Manabu Abe
2021 Australian journal of chemistry (Print)  
Singly occupied molecular orbitalÀhighest occupied molecular orbital (SOMOÀHOMO) conversion (inversion), SHC, is a phenomenon in which the SOMO is lower in energy than the doubly occupied molecular orbitals (DOMO, HOMO). A non-Aufbau electronic structure leads to unique properties such as a switch in bond dissociation energy and the generation of high-spin species on one-electron oxidation. In addition, the pronounced photostability of these species has been reported recently for application in
more » ... organic light-emitting devices. In this review article, we summarise the chemistry of SOMOÀHOMO converted (inverted) species reported to date.
doi:10.1071/ch21186 fatcat:2cpi4ih3ljfbtns7s4fefn5jmq