The non-ideality in binary aqueous systems contributed to the different abilities of solvent entities incorporated in the solvation shell of methylene blue
The solvatochromic properties of methylene blue (MB) were investigated in neat water, methanol, ethanol, propanol, dioxane and their corresponding aqueous mixtures. The correlation of the empirical solvent polarity scale (ET) values of MB with solvent composition was analysed using the solvent excha...
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| Format: | Article |
| Language: | English |
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Serbian Chemical Society
2024-01-01
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| Series: | Journal of the Serbian Chemical Society |
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| Online Access: | https://doiserbia.nb.rs/img/doi/0352-5139/2024/0352-51392300087H.pdf |
| _version_ | 1797215502031912960 |
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| author | Hemdan Sokaina S. Alnajjar Radwan |
| author_facet | Hemdan Sokaina S. Alnajjar Radwan |
| author_sort | Hemdan Sokaina S. |
| collection | DOAJ |
| description | The solvatochromic properties of methylene blue (MB) were investigated in neat water, methanol, ethanol, propanol, dioxane and their corresponding aqueous mixtures. The correlation of the empirical solvent polarity scale (ET) values of MB with solvent composition was analysed using the solvent exchange model of Bosch and Roses to explain the preferential solvation of the probe thiazine dye in the binary mixed solvents. Non-linear solvatochromism of MB was observed in aqueous mixtures of methanol, ethanol, propanol and dioxane. The influence of the composition of the solvating shell in preferential solvation of the solute dye was investigated in terms of both solvent–solvent and solute–solvent interactions, and the local mole fraction of each solvent composition in the cybotactic region of the probe was also calculated. Effective mole fraction variation can provide important physicochemical insights into the microscopic and molecular interactions between MB species and solvent components. The results showed that the MB solvation shell was thoroughly saturated with the solvent complex S12 for dioxane more than ethanol and propanol mixtures, and opposite trends for methanol mixtures, whereas the solvent complex S12 could not incorporate into the MB solvation shell. Data from the binary systems were analysed with KAT parameters using a dual model of basicity and polarity. The results showed that the polarity was better suited for spectral shift in aqueous methanol and ethanol solutions, while the basicity was better for aqueous propanol and dioxane solutions. |
| first_indexed | 2024-04-24T11:31:05Z |
| format | Article |
| id | doaj.art-828f0a0d06bc41238e33162157f540cb |
| institution | Directory Open Access Journal |
| issn | 0352-5139 1820-7421 |
| language | English |
| last_indexed | 2024-04-24T11:31:05Z |
| publishDate | 2024-01-01 |
| publisher | Serbian Chemical Society |
| record_format | Article |
| series | Journal of the Serbian Chemical Society |
| spelling | doaj.art-828f0a0d06bc41238e33162157f540cb2024-04-10T10:17:21ZengSerbian Chemical SocietyJournal of the Serbian Chemical Society0352-51391820-74212024-01-0189219521310.2298/JSC230512087H0352-51392300087HThe non-ideality in binary aqueous systems contributed to the different abilities of solvent entities incorporated in the solvation shell of methylene blueHemdan Sokaina S.0https://orcid.org/0000-0002-8400-4054Alnajjar Radwan1https://orcid.org/0000-0003-1869-9596Department of Chemistry, Faculty of Science and Art El Marj, Benghazi University, El Marj, LibyaDepartment of Chemistry, Faculty of Science, Benghazi University, Benghazi, Libya + PharmD, Faculty of Pharmacy, Libyan International Medical University, Benghazi, LibyaThe solvatochromic properties of methylene blue (MB) were investigated in neat water, methanol, ethanol, propanol, dioxane and their corresponding aqueous mixtures. The correlation of the empirical solvent polarity scale (ET) values of MB with solvent composition was analysed using the solvent exchange model of Bosch and Roses to explain the preferential solvation of the probe thiazine dye in the binary mixed solvents. Non-linear solvatochromism of MB was observed in aqueous mixtures of methanol, ethanol, propanol and dioxane. The influence of the composition of the solvating shell in preferential solvation of the solute dye was investigated in terms of both solvent–solvent and solute–solvent interactions, and the local mole fraction of each solvent composition in the cybotactic region of the probe was also calculated. Effective mole fraction variation can provide important physicochemical insights into the microscopic and molecular interactions between MB species and solvent components. The results showed that the MB solvation shell was thoroughly saturated with the solvent complex S12 for dioxane more than ethanol and propanol mixtures, and opposite trends for methanol mixtures, whereas the solvent complex S12 could not incorporate into the MB solvation shell. Data from the binary systems were analysed with KAT parameters using a dual model of basicity and polarity. The results showed that the polarity was better suited for spectral shift in aqueous methanol and ethanol solutions, while the basicity was better for aqueous propanol and dioxane solutions.https://doiserbia.nb.rs/img/doi/0352-5139/2024/0352-51392300087H.pdfthiazine dyepreferential solvationaqueous-solvent aggregateskat scale |
| spellingShingle | Hemdan Sokaina S. Alnajjar Radwan The non-ideality in binary aqueous systems contributed to the different abilities of solvent entities incorporated in the solvation shell of methylene blue Journal of the Serbian Chemical Society thiazine dye preferential solvation aqueous-solvent aggregates kat scale |
| title | The non-ideality in binary aqueous systems contributed to the different abilities of solvent entities incorporated in the solvation shell of methylene blue |
| title_full | The non-ideality in binary aqueous systems contributed to the different abilities of solvent entities incorporated in the solvation shell of methylene blue |
| title_fullStr | The non-ideality in binary aqueous systems contributed to the different abilities of solvent entities incorporated in the solvation shell of methylene blue |
| title_full_unstemmed | The non-ideality in binary aqueous systems contributed to the different abilities of solvent entities incorporated in the solvation shell of methylene blue |
| title_short | The non-ideality in binary aqueous systems contributed to the different abilities of solvent entities incorporated in the solvation shell of methylene blue |
| title_sort | non ideality in binary aqueous systems contributed to the different abilities of solvent entities incorporated in the solvation shell of methylene blue |
| topic | thiazine dye preferential solvation aqueous-solvent aggregates kat scale |
| url | https://doiserbia.nb.rs/img/doi/0352-5139/2024/0352-51392300087H.pdf |
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