{"title":"CS上两种含硫希夫碱缓蚀性能的筛选:重量、电化学和量子化学研究","authors":"J. Reeja, K. Thomas, K. Ragi, M. P. Binsi","doi":"10.4152/pea.2022400401","DOIUrl":null,"url":null,"abstract":"Novel sulphur (S)-containing Schiff’s bases, N-((1H-indol-3-yl)methylene)thiazol-2-amine (I3A2AT) and(13E)-N1,N2-bis((thiophene-2-yl)methylene) cyclohexane-1,2-diamine (T2CDACH), were synthesized. The structures were deep-rooted by mass, UV-visible, Fourier transform infrared spectroscopy (FTIR) and nuclear magnetic resonance (NMR) analyses. The ligands inhibition efficiency ( w%) on carbon steel (CS) corrosion in 1 M hydrochloric acid ( HCl) was studied using gravimetric analysis, electrochemical impedance spectroscopy (EIS), potentiodynamic polarisation (PDP), electrochemical noise (ECN), quantum chemical and surface studies. Both Schiff’s bases acted as excellent inhibitors on CS corrosion in 1 M HCl. The excellent inhibitors performance was confirmed by the formation of protective adsorption films onto the CS surface. The inhibitors adsorption onto the CS surface followed Langmuir’s adsorption isotherm. Energies of the highest and lowest occupied molecular orbitals (E HOMO and E LUMO) , number of electrons transferred (∆N), electronegativity, chemical hardness, and so forth, were evaluated by quantum chemical studies. An acceptable correlation was observed between the results of quantum chemical calculations and other corrosion monitoring techniques. corrosion inhibitors.","PeriodicalId":1,"journal":{"name":"Accounts of Chemical Research","volume":null,"pages":null},"PeriodicalIF":16.4000,"publicationDate":"2022-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Screening of Two Sulphur-Containing Schiff’s Bases Corrosion Inhibition Properties on CS: Gravimetric, Electrochemical and Quantum Chemical Studies\",\"authors\":\"J. Reeja, K. Thomas, K. Ragi, M. P. Binsi\",\"doi\":\"10.4152/pea.2022400401\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"Novel sulphur (S)-containing Schiff’s bases, N-((1H-indol-3-yl)methylene)thiazol-2-amine (I3A2AT) and(13E)-N1,N2-bis((thiophene-2-yl)methylene) cyclohexane-1,2-diamine (T2CDACH), were synthesized. The structures were deep-rooted by mass, UV-visible, Fourier transform infrared spectroscopy (FTIR) and nuclear magnetic resonance (NMR) analyses. The ligands inhibition efficiency ( w%) on carbon steel (CS) corrosion in 1 M hydrochloric acid ( HCl) was studied using gravimetric analysis, electrochemical impedance spectroscopy (EIS), potentiodynamic polarisation (PDP), electrochemical noise (ECN), quantum chemical and surface studies. Both Schiff’s bases acted as excellent inhibitors on CS corrosion in 1 M HCl. The excellent inhibitors performance was confirmed by the formation of protective adsorption films onto the CS surface. The inhibitors adsorption onto the CS surface followed Langmuir’s adsorption isotherm. Energies of the highest and lowest occupied molecular orbitals (E HOMO and E LUMO) , number of electrons transferred (∆N), electronegativity, chemical hardness, and so forth, were evaluated by quantum chemical studies. An acceptable correlation was observed between the results of quantum chemical calculations and other corrosion monitoring techniques. corrosion inhibitors.\",\"PeriodicalId\":1,\"journal\":{\"name\":\"Accounts of Chemical Research\",\"volume\":null,\"pages\":null},\"PeriodicalIF\":16.4000,\"publicationDate\":\"2022-01-01\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Accounts of Chemical Research\",\"FirstCategoryId\":\"1085\",\"ListUrlMain\":\"https://doi.org/10.4152/pea.2022400401\",\"RegionNum\":1,\"RegionCategory\":\"化学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q1\",\"JCRName\":\"CHEMISTRY, MULTIDISCIPLINARY\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Accounts of Chemical Research","FirstCategoryId":"1085","ListUrlMain":"https://doi.org/10.4152/pea.2022400401","RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q1","JCRName":"CHEMISTRY, MULTIDISCIPLINARY","Score":null,"Total":0}
引用次数: 0
摘要
合成了新型含硫席夫碱N-((1h -吲哚-3-基)亚甲基)噻唑-2-胺(I3A2AT)和(13E)- n1, n2 -二((噻吩-2-基)亚甲基)环己烷-1,2-二胺(T2CDACH)。通过质量、紫外可见、傅里叶变换红外光谱(FTIR)和核磁共振(NMR)分析,对其结构进行了深入分析。采用重量分析、电化学阻抗谱(EIS)、动电位极化(PDP)、电化学噪声(ECN)、量子化学和表面研究等方法研究了配体在1 M盐酸(HCl)中对碳钢(CS)的缓蚀效果。两种希夫碱在1 M HCl溶液中对CS腐蚀均有良好的抑制作用。在CS表面形成保护性吸附膜,证实了其优异的抑制剂性能。抑制剂在CS表面的吸附遵循Langmuir吸附等温线。采用量子化学方法对其最高和最低已占据分子轨道(E HOMO和E LUMO)的能量、转移电子数(∆N)、电负性、化学硬度等进行了评价。在量子化学计算结果和其他腐蚀监测技术之间观察到可接受的相关性。腐蚀抑制剂。
Screening of Two Sulphur-Containing Schiff’s Bases Corrosion Inhibition Properties on CS: Gravimetric, Electrochemical and Quantum Chemical Studies
Novel sulphur (S)-containing Schiff’s bases, N-((1H-indol-3-yl)methylene)thiazol-2-amine (I3A2AT) and(13E)-N1,N2-bis((thiophene-2-yl)methylene) cyclohexane-1,2-diamine (T2CDACH), were synthesized. The structures were deep-rooted by mass, UV-visible, Fourier transform infrared spectroscopy (FTIR) and nuclear magnetic resonance (NMR) analyses. The ligands inhibition efficiency ( w%) on carbon steel (CS) corrosion in 1 M hydrochloric acid ( HCl) was studied using gravimetric analysis, electrochemical impedance spectroscopy (EIS), potentiodynamic polarisation (PDP), electrochemical noise (ECN), quantum chemical and surface studies. Both Schiff’s bases acted as excellent inhibitors on CS corrosion in 1 M HCl. The excellent inhibitors performance was confirmed by the formation of protective adsorption films onto the CS surface. The inhibitors adsorption onto the CS surface followed Langmuir’s adsorption isotherm. Energies of the highest and lowest occupied molecular orbitals (E HOMO and E LUMO) , number of electrons transferred (∆N), electronegativity, chemical hardness, and so forth, were evaluated by quantum chemical studies. An acceptable correlation was observed between the results of quantum chemical calculations and other corrosion monitoring techniques. corrosion inhibitors.
期刊介绍:
Accounts of Chemical Research presents short, concise and critical articles offering easy-to-read overviews of basic research and applications in all areas of chemistry and biochemistry. These short reviews focus on research from the author’s own laboratory and are designed to teach the reader about a research project. In addition, Accounts of Chemical Research publishes commentaries that give an informed opinion on a current research problem. Special Issues online are devoted to a single topic of unusual activity and significance.
Accounts of Chemical Research replaces the traditional article abstract with an article "Conspectus." These entries synopsize the research affording the reader a closer look at the content and significance of an article. Through this provision of a more detailed description of the article contents, the Conspectus enhances the article's discoverability by search engines and the exposure for the research.