Theoretical Investigation of Linker Effects on New Designed Bodipy-Ferrocene Based Three Channels Calcium (II) Ion Sensors; as Redox, Colorimetric and Fluorescent Properties
Abstract:In this work, the structural, spectroscopic and electronic properties of proposed model complexes of 4,4-Difluoro-4-borata-3a-azonia4a-ana-s-indacene(BODIPY)-Ferrocene based Calcium ion sensors were investigated by means of DFT calculations. Geometric, and electronic effects of 4 different chemical linkers, azin(1), azadiene(2), urea(3) and thiazole(4), were predicted on the development of these fluorescent sensors computationally at B3LYP/LANL2DZ level. Designed sensors are expected to work in living systems,… Show more
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