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...

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Main Authors:	Baharu, Nurul Amirah, Ahmad, Mohammad Norazmi, Abdullah, Erna Normaya
Format:	Conference or Workshop Item
Language:	English
Published:	2018
Subjects:	QD Chemistry
Online Access:	http://irep.iium.edu.my/66835/ http://irep.iium.edu.my/66835/ http://irep.iium.edu.my/66835/1/66835_Chemosensor%20development2.pdf

id	iium-66835
recordtype	eprints
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 Conference or Workshop Item 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/
repository_type	Digital Repository
institution_category	Local University
institution	International Islamic University Malaysia
building	IIUM Repository
collection	Online Access
language	English
topic	QD Chemistry
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
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+.
format	Conference or Workshop Item
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
title	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_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_sort	chemosensor development using 2-acetylpyrrole thiosemicarbazone for cu2+ ion recognition in aqueous medium: experimental and theoretical studies
publishDate	2018
url	http://irep.iium.edu.my/66835/ http://irep.iium.edu.my/66835/ http://irep.iium.edu.my/66835/1/66835_Chemosensor%20development2.pdf
first_indexed	2023-09-18T21:34:55Z
last_indexed	2023-09-18T21:34:55Z
_version_	1777412756387921920

Chemosensor development using 2-acetylpyrrole thiosemicarbazone for cu2+ ion recognition in aqueous medium: experimental and theoretical studies

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