chemistry

Azaullazine-driven frontier orbital engineering enables nanosecond-lived singlet MLCT states in Fe(II) NHC complexes

This study reports a record-breaking Fe(II) complex featuring azaullazine-driven frontier orbital engineering that induces HOMO and LUMO inversion to selectively inhibit intersystem crossing, thereby stabilizing singlet metal-to-ligand charge-transfer states with a nanosecond-scale fluorescence lifetime.