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Adjusting UV-Vis Spectrum of Alizarin by Insertion of Auxochromes.

ABSTRACT: First synthesized in 1868, alizarin became one of the first synthetic dyes and was widely used as a red dye in the textile industry, making it more affordable and readily available than the traditional red dyes derived from natural sources. Despite extensive both experimental and computational analyses on the electronic effects of substituents on the shape of the visible spectrum of alizarin and alizarin Red S, no previous systematic work has been undertaken with the aim to fine tune the dominant absorption region defining its color by introducing other electron-withdrawing or electron-donor groups. For such, we have performed a comprehensive study of electronic effects of substituents in position C₃ of alizarin by means of a time dependent DFT approach. These auxochromes attached to the chromophore are proven to alter both the wavelength and intensity of absorption. It is shown that the introduction of an electron-donor group in alizarin causes the transition bands to be significantly red-shifted whereas electron-withdrawing groups cause a minor blue-shifting.

SUBMITTER: Noori Z

PROVIDER: S-EPMC11319224 | biostudies-literature | 2024 Aug

REPOSITORIES: biostudies-literature

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Adjusting UV-Vis Spectrum of Alizarin by Insertion of Auxochromes.

Noori Zahra Z de P R Moreira Ibério I Bofill Josep Maria JM Poater Jordi J

ChemistryOpen 20240305 8

First synthesized in 1868, alizarin became one of the first synthetic dyes and was widely used as a red dye in the textile industry, making it more affordable and readily available than the traditional red dyes derived from natural sources. Despite extensive both experimental and computational analyses on the electronic effects of substituents on the shape of the visible spectrum of alizarin and alizarin Red S, no previous systematic work has been undertaken with the aim to fine tune the dominan ...[more]

PMID: 38441494

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Project description:Two-dimensional materials have been at the forefront of chemistry and materials science research for the past decade owing to promising applications across many fields. Improvements in exfoliation processes continually give access to new two-dimensional material compositions, demanding a deeper understanding of the defect structure and exfoliation mechanisms. Chemical exfoliation processes allow for both the fabrication of new, and the production of industrial-scale quantities of two-dimensional materials. For this reason, we report a rapid, efficient, and simple method for evaluating the exfoliation behavior of protonated lithium cobalt oxide. Using a two-step chemical exfoliation method, first by proton-cation exchange, then by treatment with an organo-ammonium hydroxide, the exfoliation yield of lithium cobalt oxide was quantified with a quick and powerful technique, ultraviolet-vis spectroscopy characterization. This method provided an in-depth analysis of the exfoliation of lithium cobalt oxide confirming and discovering many key aspects of its soft-chemical exfoliation relating to layered transition metal oxides. It was determined that the exfoliation yield has a strong dependence on multiple factors, such as the concentration of protons in the powder, the presence of water and hydroxide groups in solution, and the ionic radius and concentration of the intercalating cation. Both morphological changes occurring as a function of reaction conditions and the two-dimensional nature of the final sheets were revealed through scanning electron microscopy and atomic force microscopy. Relative proton concentration of acid-treated lithium cobalt oxide was determined as a function of acid concentration using time of flight secondary ion mass spectrometry after deuterated acid treatment. These experiments led to an improved understanding of the soft-chemical exfoliation of lithium cobalt oxide and can be applied to many layered transition metal oxides.

Dataset Information

Adjusting UV-Vis Spectrum of Alizarin by Insertion of Auxochromes.

Publications

Adjusting UV-Vis Spectrum of Alizarin by Insertion of Auxochromes.

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