Exploring the effect of aggregation-induced emission on the excited state intramolecular proton transfer for a bis-imine derivative by quantum mechanics and our own <i>n</i>-layered integrated molecular orbital and molecular mechanics calculations

Exploring the effect of aggregation-induced emission on the excited state intramolecular proton transfer for a bis-imine derivative by quantum mechanics and our own n-layered integrated molecular orbital and molecular mechanics calculations

Zhao Huifang, Sun Chaofan, Liu Xiaochun, Yin Hang^†, Shi Ying^‡

Schematic plots of frontier molecular orbitals: (a) HOMO and (b) LUMO for HNP, and (c) HOMO and (d) LUMO for c-HNP.