On the use of quantum chemical calculations in the development of fluorescent sensors
Abstract
I n this review, recently published quantum chemical computing applications in the development of fluorescent sensors were introduced, including the calculations in the development of the p hotoinduced electron transfer ( PET ) -based new fluorescent sensors; the study of structure, property, and nature of interactions, absorption, and fluorescence characteristics of compounds based on calculations of the ground state and excited state, and the n atural bond orbital ( NBO ) analysis. These applications may not be comprehensive, but they aim to highlight, guide and promote the use of quantum chemical computation in the development of fluorescent sensors.