Chemosensor development using 2-acetylpyrrole thiosemicarbazone for cu2+ ion recognition in aqueous medium: experimental and theoretical studies
A sensitive and selective colorimetric of 2-acetylpyrrole thiosemicarbazone for the efficient detection of Cu2+ has been developed. The colorimetric and optical properties of a new chemosensor of 2-acetylpyrrole thiosemicarbazone were studied by the naked-eye detection and UV-VIS spectroscopy. The l...
| Main Authors: | , , |
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| Format: | Proceeding Paper |
| Language: | English |
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2018
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| Online Access: | http://irep.iium.edu.my/66835/ http://irep.iium.edu.my/66835/1/66835_Chemosensor%20development2.pdf |
| _version_ | 1848786654412668928 |
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| author | Baharu, Nurul Amirah Ahmad, Mohammad Norazmi Abdullah, Erna Normaya |
| author_facet | Baharu, Nurul Amirah Ahmad, Mohammad Norazmi Abdullah, Erna Normaya |
| author_sort | Baharu, Nurul Amirah |
| building | IIUM Repository |
| collection | Online Access |
| description | A sensitive and selective colorimetric of 2-acetylpyrrole thiosemicarbazone for the efficient detection of Cu2+ has been developed. The colorimetric and optical properties of a new chemosensor of 2-acetylpyrrole thiosemicarbazone were studied by the naked-eye detection and UV-VIS spectroscopy. The ligand was synthesised from thiosemicarbazone and 2-acetylpyrrole through condensation reaction. The ligand was further characterized by melting point, elemental analysis CHNS, IR, UV-visible spectroscopy, and 1H-NMR spectroscopy. The sensitivity of 2-acetylpyrrole thiosemicarbazone was done by optimizing the solvent, ratio of solvent:co-solvent and the pH buffer that was used. The selectivity test of the chemosensor was also conducted. DMSO was chosen as the best solvent with a 5:5 ratio at pH 7. All the optimization that was used has given a significant result in the detection of Cu2+ ion. The 2-acetylpyrrole thiosemicabazone chemosensor did not encounter any interference from other metal ions. The detection limit of the probe towards Cu2+ was 1.88 x 10-5 M. The interaction by the formation of the 2-acetylpyrrole-Cu complex is 1:1 stoichiometry that was calculated using Job’s plot method. The sensing behavior of the chemosensor was further emphasized by computational studies. The sigma profile was calculated using COSMO-RS. Density Functional Theory (DFT) calculations, such as MEP, Fukui function and HOMO-LUMO energy gap were successfully calculated to visualize and clarify the interaction between 2-acetylpyrrole thosemicarbazone and Cu2+. |
| first_indexed | 2025-11-14T17:12:28Z |
| format | Proceeding Paper |
| id | iium-66835 |
| institution | International Islamic University Malaysia |
| institution_category | Local University |
| language | English |
| last_indexed | 2025-11-14T17:12:28Z |
| publishDate | 2018 |
| recordtype | eprints |
| repository_type | Digital Repository |
| spelling | iium-668352019-01-25T04:13:11Z http://irep.iium.edu.my/66835/ Chemosensor development using 2-acetylpyrrole thiosemicarbazone for cu2+ ion recognition in aqueous medium: experimental and theoretical studies Baharu, Nurul Amirah Ahmad, Mohammad Norazmi Abdullah, Erna Normaya QD Chemistry A sensitive and selective colorimetric of 2-acetylpyrrole thiosemicarbazone for the efficient detection of Cu2+ has been developed. The colorimetric and optical properties of a new chemosensor of 2-acetylpyrrole thiosemicarbazone were studied by the naked-eye detection and UV-VIS spectroscopy. The ligand was synthesised from thiosemicarbazone and 2-acetylpyrrole through condensation reaction. The ligand was further characterized by melting point, elemental analysis CHNS, IR, UV-visible spectroscopy, and 1H-NMR spectroscopy. The sensitivity of 2-acetylpyrrole thiosemicarbazone was done by optimizing the solvent, ratio of solvent:co-solvent and the pH buffer that was used. The selectivity test of the chemosensor was also conducted. DMSO was chosen as the best solvent with a 5:5 ratio at pH 7. All the optimization that was used has given a significant result in the detection of Cu2+ ion. The 2-acetylpyrrole thiosemicabazone chemosensor did not encounter any interference from other metal ions. The detection limit of the probe towards Cu2+ was 1.88 x 10-5 M. The interaction by the formation of the 2-acetylpyrrole-Cu complex is 1:1 stoichiometry that was calculated using Job’s plot method. The sensing behavior of the chemosensor was further emphasized by computational studies. The sigma profile was calculated using COSMO-RS. Density Functional Theory (DFT) calculations, such as MEP, Fukui function and HOMO-LUMO energy gap were successfully calculated to visualize and clarify the interaction between 2-acetylpyrrole thosemicarbazone and Cu2+. 2018-08-19 Proceeding Paper NonPeerReviewed application/pdf en http://irep.iium.edu.my/66835/1/66835_Chemosensor%20development2.pdf Baharu, Nurul Amirah and Ahmad, Mohammad Norazmi and Abdullah, Erna Normaya (2018) Chemosensor development using 2-acetylpyrrole thiosemicarbazone for cu2+ ion recognition in aqueous medium: experimental and theoretical studies. In: International Conference of Analytical Sciences (SKAM31), 17th-19th August 2018, Kuantan, Pahang. http://www.iium.edu.my/skam31/ |
| spellingShingle | QD Chemistry Baharu, Nurul Amirah Ahmad, Mohammad Norazmi Abdullah, Erna Normaya Chemosensor development using 2-acetylpyrrole thiosemicarbazone for cu2+ ion recognition in aqueous medium: experimental and theoretical studies |
| title | Chemosensor development using 2-acetylpyrrole thiosemicarbazone for cu2+ ion recognition in aqueous medium: experimental and theoretical studies |
| title_full | Chemosensor development using 2-acetylpyrrole thiosemicarbazone for cu2+ ion recognition in aqueous medium: experimental and theoretical studies |
| title_fullStr | Chemosensor development using 2-acetylpyrrole thiosemicarbazone for cu2+ ion recognition in aqueous medium: experimental and theoretical studies |
| title_full_unstemmed | Chemosensor development using 2-acetylpyrrole thiosemicarbazone for cu2+ ion recognition in aqueous medium: experimental and theoretical studies |
| title_short | Chemosensor development using 2-acetylpyrrole thiosemicarbazone for cu2+ ion recognition in aqueous medium: experimental and theoretical studies |
| title_sort | chemosensor development using 2-acetylpyrrole thiosemicarbazone for cu2+ ion recognition in aqueous medium: experimental and theoretical studies |
| topic | QD Chemistry |
| url | http://irep.iium.edu.my/66835/ http://irep.iium.edu.my/66835/ http://irep.iium.edu.my/66835/1/66835_Chemosensor%20development2.pdf |