Charge-Density Induced Discrimination of Halides with a Rigid Dinuclear Copper(II) Complex

06 May 2020, Version 1
This content is a preprint and has not undergone peer review at the time of posting.


A rigid dinuclear copper(II) complex L based on furan spacers has been synthesized and studied for its binding interactions with halides by colorimetric studies, UV-Vis titrations, and density functional theory (DFT) calculations. Our results from the titration studies demonstrate that L binds each of the halides in the order of fluoride > chloride > bromide > iodide, correlating directly with the charge density of the respective halide. Fully unconstrained DFT geometry optimizations have been carried out on both the isolated L as well as the anion-bound motifs. Binding energies (DE) were calculated for each of the optimized geometries, yielding an attractive DE of -92.39, -27.14, -23.16, and -13.37 kcal/mol for fluoride, chloride, bromide, and iodide, respectively, which is in accord with our experimental results. The compound has been further investigated for its biocompatibility on HeLa cells, demonstrating an excellent cell viability up to 500 µM concentration.


inorganic chemistry
biocompatible sensors
HeLa cells
copper interaction
furan complexes
binding ability
colorimetric and fluorescent sensor
UV-vis titration
titration method
halide anions

Supplementary materials

Supporting information R1


Comments are not moderated before they are posted, but they can be removed by the site moderators if they are found to be in contravention of our Commenting Policy [opens in a new tab] - please read this policy before you post. Comments should be used for scholarly discussion of the content in question. You can find more information about how to use the commenting feature here [opens in a new tab] .
This site is protected by reCAPTCHA and the Google Privacy Policy [opens in a new tab] and Terms of Service [opens in a new tab] apply.