Bromocresol purple in the processes of cation-anionic interactions in aqueous solutions: UV-Vis spectroscopy and computer simulation of dissimilar association.

Autor: Shapovalov SA; Research Institute of Chemistry, V. N. Karazin Kharkiv National University, Svobody sq. 4, Kharkiv 61022, Ukraine. Electronic address: serghey.a.shapovalov@karazin.ua.
Jazyk: angličtina
Zdroj: Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy [Spectrochim Acta A Mol Biomol Spectrosc] 2022 Mar 15; Vol. 269, pp. 120741. Date of Electronic Publication: 2021 Dec 13.
DOI: 10.1016/j.saa.2021.120741
Abstrakt: The formation of associates between single- or double-charged anions of bromocresol purple (3,3'-dimethyl-5,5'-dibromophenolsulfonephthalein) and single-charged cations of cyanines (quinaldine blue, quinaldine red) has been investigated. The equilibrium constants of the association have been determined on the basis of UV-Vis spectroscopy data. The energy of the cation-anion interaction (the standard enthalpy of formation of ions and associates), as well as the probable structure of associates, were established using the PM7 semiempirical method. The presented results can be useful in the development of new spectroscopic methods for the detection of organic additives in water (e.g. acetone) due to the spectral properties of dissimilar associates.
Competing Interests: Declaration of Competing Interest The authors declare that they have no known competing financial interests or personal relationships that could have appeared to influence the work reported in this paper.
(Copyright © 2021 Elsevier B.V. All rights reserved.)
Databáze: MEDLINE
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