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Journals / Communications Faculty of Sciences University of Ankara Series B Chemistry and Chemical Engineering / 2022 / Cilt: 64 - Sayı: 1

A theoretical approach to the inhibitive effect of two new Schiff base compounds

Burçin ÇAKIR
Kaan Cebesoy EMREGÜL
Pages
1–19
Publication Date
2022-07-18
DOI
—
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AI Summary & Key Takeaways

AI Insight
⚡ TL;DR(Too Long; Didn't Read)

Various quantum chemical descriptors like EHOMO, ELUMO, ΔE, chemical hardness were calculated and discussed.

📌 3 Key Takeaways

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Objective & Hypothesis:The corrosion inhibition of mild steel was investigated using theoretical calculations in 2,2-[2,2-{2-hidroxy propane-1,3diyl}bis(oxy)bis(2,1-phenylene)]bis(methane-l-yl-l-ylidene ) bis(azan-l-yl-l-ylidene)diphenol (DF1) and 2,2-[2,2-{ethane-1,2diylbis(oxy)}bis(2,1-phenylene)]bis(methane-l-yl-l-ylidene)bis(azan-l-yl-l-yl-idene) diphenol (DF2).
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Key Findings & Data:The corrosion inhibition of mild steel was investigated using theoretical calculations in 2,2-[2,2-{2-hidroxy propane-1,3diyl}bis(oxy)bis(2,1-phenylene)]bis(methane-l-yl-l-ylidene ) bis(azan-l-yl-l-ylidene)diphenol (DF1) and 2,2-[2,2-{ethane-1,2diylbis(oxy)}bis(2,1-phenylene)]bis(methane-l-yl-l-ylidene)bis(azan-l-yl-l-yl-idene) diphenol (DF2).
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Conclusion & Impact:Various quantum chemical descriptors like EHOMO, ELUMO, ΔE, chemical hardness were calculated and discussed.
🔬Design:Research Article
📍Scope:Comprehensive Sample
⚙️Variables:Quantum chemical calculations · DFT · electrochemical impedance spectroscopy (EIS)

Abstract

The corrosion inhibition of mild steel was investigated using theoretical calculations in 2,2-[2,2-{2-hidroxy propane-1,3diyl}bis(oxy)bis(2,1-phenylene)]bis(methane-l-yl-l-ylidene ) bis(azan-l-yl-l-ylidene)diphenol (DF1) and 2,2-[2,2-{ethane-1,2diylbis(oxy)}bis(2,1-phenylene)]bis(methane-l-yl-l-ylidene)bis(azan-l-yl-l-yl-idene) diphenol (DF2). Various quantum chemical descriptors like EHOMO, ELUMO, ΔE, chemical hardness were calculated and discussed.

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Cite This Article

ÇAKIR, B., EMREGÜL, K. C. (2022). A theoretical approach to the inhibitive effect of two new Schiff base compounds. Communications Faculty of Sciences University of Ankara Series B Chemistry and Chemical Engineering, Cilt: 64 - Sayı: 1, 1–19. https://ajindex.com/articles/827427

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