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Synthesis, characterisation and corrosion inhibitory study of meldrum's acid thiosemicarbazone: weight loss, SEM-EDX and DFT.

Meldrum's acid thiosemicarbazone derivative, 2,2-dimethyl-5-(4-nitrobenzylidene)-1,3-dioxane-4,6-dione bis(4-ethyl-3-thiosemicarbazone) (4NMATSC), was successfully synthesised and characterised using the attenuated total reflectance-Fourier transform infrared (ATR-FTIR), nuclear magnetic resona...

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Main Authors: Idelfitri, Nur Iffah Fitri, Dzulkifli, Nur Nadia, Ash'ar, Nur Ain Nabilah, Ash'ari, Nur Ain Nabilah, Abdul Razak, Fazira Ilyana, Pungot, Noor Hidayah
Format: Article
Published: Elsevier B.V. 2023
Subjects:
Q Science (General)
QD Chemistry
Online Access:http://eprints.utm.my/105071/
http://dx.doi.org/10.1016/j.inoche.2023.110485
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spelling my.utm.1050712024-04-02T06:48:57Z http://eprints.utm.my/105071/ Synthesis, characterisation and corrosion inhibitory study of meldrum's acid thiosemicarbazone: weight loss, SEM-EDX and DFT. Idelfitri, Nur Iffah Fitri Dzulkifli, Nur Nadia Ash'ar, Nur Ain Nabilah Ash'ari, Nur Ain Nabilah Abdul Razak, Fazira Ilyana Pungot, Noor Hidayah Q Science (General) QD Chemistry Meldrum's acid thiosemicarbazone derivative, 2,2-dimethyl-5-(4-nitrobenzylidene)-1,3-dioxane-4,6-dione bis(4-ethyl-3-thiosemicarbazone) (4NMATSC), was successfully synthesised and characterised using the attenuated total reflectance-Fourier transform infrared (ATR-FTIR), nuclear magnetic resonance (NMR), ultraviolet–visible (UV–Vis) spectroscopies, and an elemental analyser. From the weight loss technique and SEM-EDX mapping analysis, 4NMATSC was verified to be a competent corrosion inhibitor in HCl by forming a protective layer on the surface of mild steel via adsorption. The effectiveness of the inhibitor increased as the concentrations of the inhibitor increased. The corrosion inhibitory effectiveness was 68.88 % at the highest concentration of 5 ppm. The density-functional theory (DFT) study revealed that the 4NMATSC was more favourable to nucleophilic attack through C[dbnd]S (covalent bond) to the mild steel surface to form an adsorption layer on the mild steel surface. Besides that, the values of ionisation potential, electron affinity, electron donating ability, and electron accepting ability deduced that the compound was preferred to donate electrons as compared to back-donating to the mild steel surface. Elsevier B.V. 2023-04 Article PeerReviewed Idelfitri, Nur Iffah Fitri and Dzulkifli, Nur Nadia and Ash'ar, Nur Ain Nabilah and Ash'ari, Nur Ain Nabilah and Abdul Razak, Fazira Ilyana and Pungot, Noor Hidayah (2023) Synthesis, characterisation and corrosion inhibitory study of meldrum's acid thiosemicarbazone: weight loss, SEM-EDX and DFT. Inorganic Chemistry Communications, 150 (110485). NA-NA. ISSN 1387-7003 http://dx.doi.org/10.1016/j.inoche.2023.110485 DOI: 10.1016/j.inoche.2023.110485
institution Universiti Teknologi Malaysia
building UTM Library
collection Institutional Repository
continent Asia
country Malaysia
content_provider Universiti Teknologi Malaysia
content_source UTM Institutional Repository
url_provider http://eprints.utm.my/
topic Q Science (General)
QD Chemistry
spellingShingle Q Science (General)
QD Chemistry
Idelfitri, Nur Iffah Fitri
Dzulkifli, Nur Nadia
Ash'ar, Nur Ain Nabilah
Ash'ari, Nur Ain Nabilah
Abdul Razak, Fazira Ilyana
Pungot, Noor Hidayah
Synthesis, characterisation and corrosion inhibitory study of meldrum's acid thiosemicarbazone: weight loss, SEM-EDX and DFT.
description Meldrum's acid thiosemicarbazone derivative, 2,2-dimethyl-5-(4-nitrobenzylidene)-1,3-dioxane-4,6-dione bis(4-ethyl-3-thiosemicarbazone) (4NMATSC), was successfully synthesised and characterised using the attenuated total reflectance-Fourier transform infrared (ATR-FTIR), nuclear magnetic resonance (NMR), ultraviolet–visible (UV–Vis) spectroscopies, and an elemental analyser. From the weight loss technique and SEM-EDX mapping analysis, 4NMATSC was verified to be a competent corrosion inhibitor in HCl by forming a protective layer on the surface of mild steel via adsorption. The effectiveness of the inhibitor increased as the concentrations of the inhibitor increased. The corrosion inhibitory effectiveness was 68.88 % at the highest concentration of 5 ppm. The density-functional theory (DFT) study revealed that the 4NMATSC was more favourable to nucleophilic attack through C[dbnd]S (covalent bond) to the mild steel surface to form an adsorption layer on the mild steel surface. Besides that, the values of ionisation potential, electron affinity, electron donating ability, and electron accepting ability deduced that the compound was preferred to donate electrons as compared to back-donating to the mild steel surface.
format Article
author Idelfitri, Nur Iffah Fitri
Dzulkifli, Nur Nadia
Ash'ar, Nur Ain Nabilah
Ash'ari, Nur Ain Nabilah
Abdul Razak, Fazira Ilyana
Pungot, Noor Hidayah
author_facet Idelfitri, Nur Iffah Fitri
Dzulkifli, Nur Nadia
Ash'ar, Nur Ain Nabilah
Ash'ari, Nur Ain Nabilah
Abdul Razak, Fazira Ilyana
Pungot, Noor Hidayah
author_sort Idelfitri, Nur Iffah Fitri
title Synthesis, characterisation and corrosion inhibitory study of meldrum's acid thiosemicarbazone: weight loss, SEM-EDX and DFT.
title_short Synthesis, characterisation and corrosion inhibitory study of meldrum's acid thiosemicarbazone: weight loss, SEM-EDX and DFT.
title_full Synthesis, characterisation and corrosion inhibitory study of meldrum's acid thiosemicarbazone: weight loss, SEM-EDX and DFT.
title_fullStr Synthesis, characterisation and corrosion inhibitory study of meldrum's acid thiosemicarbazone: weight loss, SEM-EDX and DFT.
title_full_unstemmed Synthesis, characterisation and corrosion inhibitory study of meldrum's acid thiosemicarbazone: weight loss, SEM-EDX and DFT.
title_sort synthesis, characterisation and corrosion inhibitory study of meldrum's acid thiosemicarbazone: weight loss, sem-edx and dft.
publisher Elsevier B.V.
publishDate 2023
url http://eprints.utm.my/105071/
http://dx.doi.org/10.1016/j.inoche.2023.110485
_version_ 1797905935494021120
score 13.211869

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