{"@context":{"@vocab":"https://cir.nii.ac.jp/schema/1.0/","rdfs":"http://www.w3.org/2000/01/rdf-schema#","dc":"http://purl.org/dc/elements/1.1/","dcterms":"http://purl.org/dc/terms/","foaf":"http://xmlns.com/foaf/0.1/","prism":"http://prismstandard.org/namespaces/basic/2.0/","cinii":"http://ci.nii.ac.jp/ns/1.0/","datacite":"https://schema.datacite.org/meta/kernel-4/","ndl":"http://ndl.go.jp/dcndl/terms/","jpcoar":"https://github.com/JPCOAR/schema/blob/master/2.0/"},"@id":"https://cir.nii.ac.jp/crid/1362544419251089024.json","@type":"Article","productIdentifier":[{"identifier":{"@type":"DOI","@value":"10.5006/1.3290328"}},{"identifier":{"@type":"URI","@value":"https://content.ampp.org/corrosion/article-pdf/57/1/3/633816/1_3290328.pdf"}}],"dc:title":[{"@value":"Corrosion Inhibitors—Correlation Between Electronic Structure and Efficiency"}],"description":[{"type":"abstract","notation":[{"@value":"<jats:p>Corrosion inhibition efficiencies of heterocyclic, unsaturated (aromatic and nonaromatic) compounds (pyrimidines, benzothiazole derivatives, amino acids containing an aromatic part, pyridines, and quinolines) were correlated with quantum chemical indices of the respective molecules. Inhibition efficiencies were determined in acidic solutions containing 0.001 M or 0.01 M of the inhibitor. Quantum chemical calculations were made by using the Hückel method. The difference (Δ) between energy of the highest occupied and the lowest unoccupied molecular orbital was related to the inhibition efficiency (E) of the molecules. At values Δ &lt; 1.3 beta, efficiency increased with increasing values of Δ. At values Δ &gt; 1.3 beta, efficiency (in 0.001 M concentration) tended to decrease with increasing values of Δ. The optimal value of index Δ may have been lower in solutions containing 0.01 M of the inhibitor. Results indicated that Δ alone is insufficient to account for all variations in the experimental inhibition efficiency.</jats:p>"}]}],"creator":[{"@id":"https://cir.nii.ac.jp/crid/1380303976469559680","@type":"Researcher","foaf:name":[{"@value":"I. Lukovts"}]},{"@id":"https://cir.nii.ac.jp/crid/1382544419251088898","@type":"Researcher","foaf:name":[{"@value":"E. Kálmán"}],"jpcoar:affiliationName":[{"@value":"*Chemical Research Center, Hungarian Academy of Sciences, H-1525 Budapest, PO Box 17, Hungary."}]},{"@id":"https://cir.nii.ac.jp/crid/1382544419251088897","@type":"Researcher","foaf:name":[{"@value":"F. Zucchi"}],"jpcoar:affiliationName":[{"@value":"**Corrosion Study Centre “Aldo Daccó,” Department of Chemistry, University of Ferrara, Via L. Borsari, 46, Ferrara, Italy."}]}],"publication":{"publicationIdentifier":[{"@type":"PISSN","@value":"00109312"},{"@type":"EISSN","@value":"1938159X"},{"@type":"PISSN","@value":"http://id.crossref.org/issn/00109312"}],"prism:publicationName":[{"@value":"Corrosion"}],"dc:publisher":[{"@value":"Association for Materials Protection and Performance (AMPP)"}],"prism:publicationDate":"2001-01-01","prism:volume":"57","prism:number":"1","prism:startingPage":"3","prism:endingPage":"8"},"reviewed":"false","url":[{"@id":"https://content.ampp.org/corrosion/article-pdf/57/1/3/633816/1_3290328.pdf"}],"createdAt":"2010-02-22","modifiedAt":"2025-03-18","relatedProduct":[{"@id":"https://cir.nii.ac.jp/crid/1360580229828159104","@type":"Article","resourceType":"学術雑誌論文(journal article)","relationType":["isReferencedBy"],"jpcoar:relatedTitle":[{"@value":"In Silico Screening of Active Compounds in Garri for the Inhibition of Key Enzymes Linked to Diabetes Mellitus"}]},{"@id":"https://cir.nii.ac.jp/crid/1390282681236587648","@type":"Article","relationType":["isReferencedBy"],"jpcoar:relatedTitle":[{"@language":"en","@value":"Features and Mechanism of Unusual Wall Thinning (Erosion-Corrosion) of the Carbon Steel Pipe Carrying Hot Pure Water"},{"@language":"ja","@value":"高温純水中の炭素鋼鋼管壁に生じる異常減肉（エロージョン‐コロージョン）の特徴とメカニズム"}]}],"dataSourceIdentifier":[{"@type":"CROSSREF","@value":"10.5006/1.3290328"},{"@type":"CROSSREF","@value":"10.1021/acsfoodscitech.2c00217_references_DOI_WXZjpQvNuNYQFurNqi3vwj5U065"},{"@type":"CROSSREF","@value":"10.3323/jcorr.56.187_references_DOI_WXZjpQvNuNYQFurNqi3vwj5U065"}]}