Abstract
The interactions between chemosensors, organosilicon 1,8-naphthalimide derivatives, and different (F−, Cl−, Br−, and AcO−) anions have been theoretically investigated using Density functional theory (DFT) approaches. Theoretical investigations have been performed to explore the optical and electronic properties of the colorimetric fluoride anion chemosensors. It turned out that the unique selectivity of chemosensors for F− is ascribed to their ability of the cleavage of OSi bond of the host sensors. The frontier molecular orbitals (FMOs) analyses have turned out that the vertical electronic transitions of chemosensors and their anions are characterized as intramolecular charge transfer (ICT). The study of substituent effects suggests that the substituted derivatives with nitrobenzene (1), anisole (2), benzo[c][1,2,5]thiadiazole (3), benzo[c]thiophene (4), and 2-phenylthiophene (5) fragments are expected to be promising candidates for colorimetric fluoride anion chemosensors.
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callDisclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
