New branched benign compounds including double antibiotic scaffolds: synthesis, simulation and adsorption for anticorrosion effect on mild steel

doi:10.1007/s11705-022-2199-2

Front. Chem. Sci. Eng.

2023, Vol. 17

Issue (2) : 167-182 https://doi.org/10.1007/s11705-022-2199-2

RESEARCH ARTICLE

New branched benign compounds including double antibiotic scaffolds: synthesis, simulation and adsorption for anticorrosion effect on mild steel

Yueting Shi, Lingli Chen, Shengtao Zhang, Hongru Li(

), Fang Gao(

)

College of Chemistry and Chemical Engineering, Chongqing University, Chongqing 400044, China

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Abstract

In this study, two novel environmental benign double antibiotic norfloxacin or ciprofloxacin scaffolds included branched molecules were prepared by multi-step routes and purified by simple performance, which were used as the target compounds (TCs). Meanwhile, a single norfloxacin or ciprofloxacin skeleton based molecules were synthesized as the reference compounds (RCs). The molecular geometry optimization and material simulation computation revealed that TCs presented smaller HOMO-LUMO energy gaps and larger binding energy levels on mild steel surface than RCs. The chemical adsorption of TCs on steel surface was confirmed by X-ray photoelectron spectroscopy, which could be processed by TCs chelation with iron ions. It was shown that TCs could be self-adsorbed on steel surface, which was demonstrated by atomic force microscopy and scanning electron microscopy. The anticorrosion of the studied compounds for mild steel in HCl solution was investigated by electrochemistry analysis. The results suggested that the anticorrosion efficiency could reach 95.86% (TC1) and 97.05% (TC2) at 0.050 mmol·L⁻¹ based on electrochemical impedance spectroscopy, which were much better than RCs (RC1, 69.23%; RC2, 74.16%). The adsorption isotherms of TCs on steel were further fitted, and a deep insight on adsorption was discussed.

Keywords branched compounds floxacin scaffold mild steel anticorrosion environmentally benign

Corresponding Author(s): Hongru Li,Fang Gao

About author:

Changjian Wang and Zhiying Yang contributed equally to this work.

Online First Date: 17 October 2022 Issue Date: 27 February 2023

Cite this article:

Yueting Shi,Lingli Chen,Shengtao Zhang, et al. New branched benign compounds including double antibiotic scaffolds: synthesis, simulation and adsorption for anticorrosion effect on mild steel[J]. Front. Chem. Sci. Eng., 2023, 17(2): 167-182.

URL:

https://academic.hep.com.cn/fcse/EN/10.1007/s11705-022-2199-2
https://academic.hep.com.cn/fcse/EN/Y2023/V17/I2/167

Scheme1 Chemical structures and synthesis routes of TCs and RCs.

Fig.1 Optimized structures, frontier orbital density distributions, and Mulliken charge for (a) TC1 and (b) TC2.

Fig.2 (a, c) Side and (b, d) top views of equilibrium geometries of TC1 and TC2 adsorbed on Fe (110) surface.

Tab.1 Adsorption energies and binding energies of TCs at equilibrated state (in kcal·mol^?1)

Tab.2 De-convolution parameters containing chemical states, binding energies and FWHMs of Fe 2p3/2 XPS spectra peaks

Fig.3 Fe 2p3/2 XPS spectra obtained from (a) blank steel surface and steel specimens adsorbed by (b) TC1 and (c) TC2, after the metal was incubated in HCl solution for 1 h.

Fig.4 AFM micrographs of the studied (a) freshly polished mild steel specimen, (b) polished mild steel specimen, (c) polished mild steel specimen surface covered by TC1, (d) polished mild steel specimen surface covered by TC2, and (e)–(h) the corresponding height profile graphs of the studied mild steel specimen surfaces to (a)–(d), respectively, after the metal was soaked in 1 mol·L^?1 HCl solution for 1 h.

Fig.5 SEM images of (a) freshly polished mild steel specimen and (b) polished blank steel; SEM images of polished mild steel covered by (c) TC1 of 0.01, (d) TC1 of 0.05, (e) TC1 of 0.10; (f) TC2 of 0.01, (g) TC2 of 0.05, and (h) TC2 of 0.10 mmol·L^?1.

Fig.6 Tafel curves in 1 mol·L^?1 HCl solutions for blank mild steel electrodes and mild steel electrodes covered by (a) TC1 and (b) TC2 of the different concentrations.

Fig.7 (a, c) Nyquist and (b, d) Bode plots in 1 mmol·L^?1 HCl solutions for the naked mild steel electrodes; (a, b) TC1 and (c, d) TC2 of different concentrations covered mild steel electrodes.

Fig.8 Equivalent circuit models fitting EIS experimental data for (a) blank metal sample and (b) TCs covered metal sample in this study.

Fig.9 Langmuir adsorption isotherms of (a) TC1 and (b) TC2 on the studied mild steel specimen surfaces in 1 mmol·L^?1 HCl solution at 298 K.

Fig.10 Schematic diagrams of mixed physics and chemistry adsorption of (a) TCs, (b) RCs and (c) anticorrosion mechanism on iron surface in HCl solution.

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[1]	Abbas TEIMOURI, Nasrin SOLTANI, Alireza Najafi CHERMAHINI. Synthesis of mono and bis-4-methylpiperidiniummethyl-urea as corrosion inhibitors for steel in acidic media[J]. Front Chem Sci Eng, 2011, 5(1): 43-50.

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