{"id":"https://openalex.org/W3201215196","doi":"https://doi.org/10.31202/ecjse.951527","title":"Synthesis, Characterization, and theoretical inhibitor study for (1E,1'E)-2,2'-thiobis(1-(3-mesityl-3-methylcyclobutyl)ethan-1-one) dioxime","display_name":"Synthesis, Characterization, and theoretical inhibitor study for (1E,1'E)-2,2'-thiobis(1-(3-mesityl-3-methylcyclobutyl)ethan-1-one) dioxime","publication_year":2021,"publication_date":"2021-07-28","ids":{"openalex":"https://openalex.org/W3201215196","doi":"https://doi.org/10.31202/ecjse.951527","mag":"3201215196"},"language":"en","primary_location":{"id":"doi:10.31202/ecjse.951527","doi":"https://doi.org/10.31202/ecjse.951527","is_oa":true,"landing_page_url":"https://doi.org/10.31202/ecjse.951527","pdf_url":"https://dergipark.org.tr/en/download/article-file/1820751","source":{"id":"https://openalex.org/S4210229148","display_name":"El-Cezeri Fen ve M\u00fchendislik Dergisi","issn_l":"2148-3736","issn":["2148-3736"],"is_oa":true,"is_in_doaj":false,"is_core":false,"listed_in":["poland-20","russia-white-list-4"],"host_organization":"https://openalex.org/P4310318407","host_organization_name":"T\u00fcm Bilim \u0130nsanlar\u0131 ve Akademisyenler Derne\u011fi","host_organization_lineage":["https://openalex.org/P4310318407"],"host_organization_lineage_names":["T\u00fcm Bilim \u0130nsanlar\u0131 ve Akademisyenler Derne\u011fi"],"type":"journal"},"license":"cc-by-nc","license_id":"https://openalex.org/licenses/cc-by-nc","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"El-Cezeri Fen ve M\u00fchendislik Dergisi","raw_type":"journal-article"},"volume":null,"type":"article","is_traditional":true,"indexed_in":["crossref"],"open_access":{"is_oa":true,"oa_status":"diamond","oa_url":"https://dergipark.org.tr/en/download/article-file/1820751","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5037521814","display_name":"Pelin Kopar\u0131r","orcid":"https://orcid.org/0000-0002-3981-9748","observed_orcids":["https://orcid.org/0000-0002-3981-9748"]},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Pelin KOPARIR","raw_affiliation_strings":["Institute of Forensics, Department of Chemistry, Malatya, TURKEY"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Institute of Forensics, Department of Chemistry, Malatya, TURKEY","institution_ids":[]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5016344071","display_name":"Rebaz Anwar Omer","orcid":"https://orcid.org/0000-0002-3774-6071","observed_orcids":["https://orcid.org/0000-0002-3774-6071"]},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Rebaz OMER","raw_affiliation_strings":[],"raw_orcid":null,"affiliations":[]},{"author_position":"middle","author":{"id":"https://openalex.org/A5013510799","display_name":"Mustafa Karatepe","orcid":"https://orcid.org/0000-0001-6358-5913","observed_orcids":["https://orcid.org/0000-0001-6358-5913"]},"institutions":[{"id":"https://openalex.org/I143396566","display_name":"F\u0131rat University","ror":"https://ror.org/05teb7b63","country_code":"TR","type":"education","lineage":["https://openalex.org/I143396566"]}],"countries":["TR"],"is_corresponding":false,"raw_author_name":"Mustafa KARATEPE","raw_affiliation_strings":["Department of Chemistry, Faculty of Science, Firat University, 23169, Elazig, TURKEY"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Chemistry, Faculty of Science, Firat University, 23169, Elazig, TURKEY","institution_ids":["https://openalex.org/I143396566"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5011166910","display_name":"Lana Omer Ahmed","orcid":"https://orcid.org/0000-0003-2181-1972","observed_orcids":["https://orcid.org/0000-0003-2181-1972"]},"institutions":[{"id":"https://openalex.org/I143396566","display_name":"F\u0131rat University","ror":"https://ror.org/05teb7b63","country_code":"TR","type":"education","lineage":["https://openalex.org/I143396566"]},{"id":"https://openalex.org/I4896460","display_name":"Koya University","ror":"https://ror.org/017pq0w72","country_code":"IQ","type":"education","lineage":["https://openalex.org/I4896460"]}],"countries":["IQ","TR"],"is_corresponding":false,"raw_author_name":"Lana AHMED","raw_affiliation_strings":["Department of Physics, Faculty of Science & Health, Koya University, Koya KOY45, F.R. Iraq","Department of Physics, Faculty of Science, Firat University, 23169, Elazig, TURKEY"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Physics, Faculty of Science & Health, Koya University, Koya KOY45, F.R. Iraq","institution_ids":["https://openalex.org/I4896460"]},{"raw_affiliation_string":"Department of Physics, Faculty of Science, Firat University, 23169, Elazig, TURKEY","institution_ids":["https://openalex.org/I143396566"]}]}],"institutions":[],"countries_distinct_count":2,"institutions_distinct_count":2,"corresponding_author_ids":[],"corresponding_institution_ids":[],"apc_list":null,"apc_paid":null,"fwci":0.7104,"has_fulltext":true,"cited_by_count":13,"citation_normalized_percentile":{"value":0.60198133,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":91,"max":98},"biblio":{"volume":null,"issue":null,"first_page":null,"last_page":null},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10310","display_name":"Corrosion Behavior and Inhibition","score":0.95169997215271,"subfield":{"id":"https://openalex.org/subfields/2505","display_name":"Materials Chemistry"},"field":{"id":"https://openalex.org/fields/25","display_name":"Materials Science"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},"topics":[{"id":"https://openalex.org/T10310","display_name":"Corrosion Behavior and Inhibition","score":0.95169997215271,"subfield":{"id":"https://openalex.org/subfields/2505","display_name":"Materials Chemistry"},"field":{"id":"https://openalex.org/fields/25","display_name":"Materials Science"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T11025","display_name":"Nonlinear Optical Materials Research","score":0.02449999935925007,"subfield":{"id":"https://openalex.org/subfields/2504","display_name":"Electronic, Optical and Magnetic Materials"},"field":{"id":"https://openalex.org/fields/25","display_name":"Materials Science"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T13013","display_name":"Free Radicals and Antioxidants","score":0.004100000020116568,"subfield":{"id":"https://openalex.org/subfields/1605","display_name":"Organic Chemistry"},"field":{"id":"https://openalex.org/fields/16","display_name":"Chemistry"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/corrosion-inhibitors","display_name":"corrosion inhibitors","score":0.5740000009536743},{"id":"https://openalex.org/keywords/organic-corrosion-inhibitors","display_name":"organic corrosion inhibitors","score":0.5820000171661377},{"id":"https://openalex.org/keywords/quantum-chemical-parameters","display_name":"quantum chemical parameters","score":0.5619999766349792},{"id":"https://openalex.org/keywords/molecular-geometry","display_name":"molecular geometry","score":0.7570000290870667},{"id":"https://openalex.org/keywords/vibrational-assignment","display_name":"vibrational assignment","score":0.8019999861717224},{"id":"https://openalex.org/keywords/homo-lumo-gap","display_name":"HOMO-LUMO gap","score":0.828000009059906},{"id":"https://openalex.org/keywords/dipole-moment","display_name":"dipole moment","score":0.7509999871253967},{"id":"https://openalex.org/keywords/hardness-and-softness","display_name":"hardness and softness","score":0.824999988079071},{"id":"https://openalex.org/keywords/electron-transfer","display_name":"electron transfer","score":0.5360000133514404},{"id":"https://openalex.org/keywords/iron-corrosion","display_name":"iron corrosion","score":0.7179999947547913}],"concepts":[{"id":"https://openalex.org/C177293861","wikidata":"https://www.wikidata.org/wiki/Q78974","display_name":"Electronegativity","level":2,"score":0.9292823076248169},{"id":"https://openalex.org/C152365726","wikidata":"https://www.wikidata.org/wiki/Q1048589","display_name":"Density functional theory","level":2,"score":0.7422575354576111},{"id":"https://openalex.org/C14158195","wikidata":"https://www.wikidata.org/wiki/Q899637","display_name":"HOMO/LUMO","level":3,"score":0.6613447070121765},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.5953351855278015},{"id":"https://openalex.org/C147597530","wikidata":"https://www.wikidata.org/wiki/Q369472","display_name":"Computational chemistry","level":1,"score":0.5648883581161499},{"id":"https://openalex.org/C139358910","wikidata":"https://www.wikidata.org/wiki/Q725417","display_name":"Molecular orbital","level":3,"score":0.5605394840240479},{"id":"https://openalex.org/C147789679","wikidata":"https://www.wikidata.org/wiki/Q11372","display_name":"Physical chemistry","level":1,"score":0.5401278138160706},{"id":"https://openalex.org/C181966813","wikidata":"https://www.wikidata.org/wiki/Q806352","display_name":"Band gap","level":2,"score":0.5143667459487915},{"id":"https://openalex.org/C111429119","wikidata":"https://www.wikidata.org/wiki/Q899127","display_name":"Chemical shift","level":2,"score":0.5131164193153381},{"id":"https://openalex.org/C173523689","wikidata":"https://www.wikidata.org/wiki/Q215589","display_name":"Dipole","level":2,"score":0.4836196005344391},{"id":"https://openalex.org/C193547582","wikidata":"https://www.wikidata.org/wiki/Q911331","display_name":"Molecular geometry","level":3,"score":0.48066890239715576},{"id":"https://openalex.org/C163111631","wikidata":"https://www.wikidata.org/wiki/Q1952454","display_name":"Carbon-13 NMR","level":2,"score":0.42296847701072693},{"id":"https://openalex.org/C32909587","wikidata":"https://www.wikidata.org/wiki/Q11369","display_name":"Molecule","level":2,"score":0.30691808462142944},{"id":"https://openalex.org/C192562407","wikidata":"https://www.wikidata.org/wiki/Q228736","display_name":"Materials science","level":0,"score":0.26193833351135254},{"id":"https://openalex.org/C178790620","wikidata":"https://www.wikidata.org/wiki/Q11351","display_name":"Organic chemistry","level":1,"score":0.19789019227027893},{"id":"https://openalex.org/C49040817","wikidata":"https://www.wikidata.org/wiki/Q193091","display_name":"Optoelectronics","level":1,"score":0.0}],"mesh":[],"locations_count":3,"locations":[{"id":"doi:10.31202/ecjse.951527","doi":"https://doi.org/10.31202/ecjse.951527","is_oa":true,"landing_page_url":"https://doi.org/10.31202/ecjse.951527","pdf_url":"https://dergipark.org.tr/en/download/article-file/1820751","source":{"id":"https://openalex.org/S4210229148","display_name":"El-Cezeri Fen ve M\u00fchendislik Dergisi","issn_l":"2148-3736","issn":["2148-3736"],"is_oa":true,"is_in_doaj":false,"is_core":false,"listed_in":["poland-20","russia-white-list-4"],"host_organization":"https://openalex.org/P4310318407","host_organization_name":"T\u00fcm Bilim \u0130nsanlar\u0131 ve Akademisyenler Derne\u011fi","host_organization_lineage":["https://openalex.org/P4310318407"],"host_organization_lineage_names":["T\u00fcm Bilim \u0130nsanlar\u0131 ve Akademisyenler Derne\u011fi"],"type":"journal"},"license":"cc-by-nc","license_id":"https://openalex.org/licenses/cc-by-nc","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"El-Cezeri Fen ve M\u00fchendislik Dergisi","raw_type":"journal-article"},{"id":"pmh:oai:dergipark.org.tr:article/951527","doi":null,"is_oa":true,"landing_page_url":"https://dergipark.org.tr/tr/pub/ecjse/issue/65010/951527","pdf_url":null,"source":{"id":"https://openalex.org/S4306401840","display_name":"DergiPark (Istanbul University)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/I67581229","host_organization_name":"Istanbul University","host_organization_lineage":["https://openalex.org/I67581229"],"host_organization_lineage_names":[],"type":"repository"},"license":"cc-by-nc-nd","license_id":"https://openalex.org/licenses/cc-by-nc-nd","version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":null,"raw_type":"info:eu-repo/semantics/article"},{"id":"pmh:oai:openaccess.firat.edu.tr:11508/40875","doi":null,"is_oa":true,"landing_page_url":"https://hdl.handle.net/11508/40875","pdf_url":null,"source":{"id":"https://openalex.org/S4377196733","display_name":"DSpace - FIRAT (F\u0131rat University)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/I143396566","host_organization_name":"F\u0131rat University","host_organization_lineage":["https://openalex.org/I143396566"],"host_organization_lineage_names":[],"type":"repository"},"license":"cc-by-nc-nd","license_id":"https://openalex.org/licenses/cc-by-nc-nd","version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":null,"raw_type":"Article"}],"best_oa_location":{"id":"doi:10.31202/ecjse.951527","doi":"https://doi.org/10.31202/ecjse.951527","is_oa":true,"landing_page_url":"https://doi.org/10.31202/ecjse.951527","pdf_url":"https://dergipark.org.tr/en/download/article-file/1820751","source":{"id":"https://openalex.org/S4210229148","display_name":"El-Cezeri Fen ve M\u00fchendislik Dergisi","issn_l":"2148-3736","issn":["2148-3736"],"is_oa":true,"is_in_doaj":false,"is_core":false,"listed_in":["poland-20","russia-white-list-4"],"host_organization":"https://openalex.org/P4310318407","host_organization_name":"T\u00fcm Bilim \u0130nsanlar\u0131 ve Akademisyenler Derne\u011fi","host_organization_lineage":["https://openalex.org/P4310318407"],"host_organization_lineage_names":["T\u00fcm Bilim \u0130nsanlar\u0131 ve Akademisyenler Derne\u011fi"],"type":"journal"},"license":"cc-by-nc","license_id":"https://openalex.org/licenses/cc-by-nc","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"El-Cezeri Fen ve M\u00fchendislik Dergisi","raw_type":"journal-article"},"sustainable_development_goals":[],"study_designs":[],"awards":[],"funders":[],"has_content":{"pdf":true,"grobid_xml":true},"content_urls":{"pdf":"https://content.openalex.org/works/W3201215196.pdf","grobid_xml":"https://content.openalex.org/works/W3201215196.grobid-xml"},"referenced_works_count":2,"referenced_works":["https://openalex.org/W1600833174","https://openalex.org/W2039593231"],"related_works":["https://openalex.org/W4306879924","https://openalex.org/W4390404544","https://openalex.org/W4283802358","https://openalex.org/W4283650399","https://openalex.org/W2948840649","https://openalex.org/W4200438785","https://openalex.org/W4312075954","https://openalex.org/W3211876125","https://openalex.org/W4381334377","https://openalex.org/W4381468269"],"abstract_inverted_index":{"In":[0],"this":[1],"study":[2],"synthesized":[3],"and":[4,12,28,35,63,70,113,129,173,200],"characterization":[5],"of":[6,25,89,98,123,158,190],"(1E,1'E)-2,2'-thiobis(1-(3-mesityl-3-methylcyclobutyl)ethan-1-one)":[7],"dioxime":[8],"for":[9,33],"both":[10],"experimental":[11,73,186],"computational":[13],"was":[14,20,42,162],"reported.":[15],"The":[16,39,156,188],"solid-state":[17],"FT-IR":[18],"spectrum":[19],"observed":[21],"in":[22,51],"the":[23,45,52,56,87,90,96,99,114,120,167,170,174,191],"range":[24],"4000\u2013400":[26],"cm-1":[27],"CDCl3":[29],"solvents":[30],"were":[31,135,147],"used":[32],"1H":[34],"13C":[36],"NMR":[37],"analysis.":[38],"molecular":[40,93,102,127],"geometry":[41,128],"calculated":[43],"using":[44,149],"Density":[46],"Functional":[47],"Theory":[48],"(DFT/B3LYP)":[49],"method":[50],"ground":[53],"state":[54],"with":[55],"6-31G(d,":[57],"p)":[58],"basis":[59],"sets.":[60],"Vibrational":[61],"assignments":[62],"chemical":[64,202],"shifts":[65],"have":[66],"been":[67],"measured":[68],"theoretically":[69],"compared":[71],"to":[72,81,119,153],"data.":[74],"B3LYP/6-31G(d,p)":[75],"applied":[76],"on":[77],"our":[78],"title":[79],"compound":[80],"found":[82],"different":[83],"parameters":[84,203],"such":[85,138],"as":[86,139],"energy":[88,97,105],"highest":[91],"occupied":[92],"orbital":[94,103],"(EHOMO),":[95],"lowest":[100],"unoccupied":[101],"(ELUMO),":[104],"gap":[106],"(":[107],"\u0394E":[108],"=":[109],"ELUMO":[110],"-":[111],"EHOMO)":[112],"dipole":[115],"moment":[116],"(\u03bc)":[117],"related":[118],"corrosion":[121,198],"efficacy":[122],"organic":[124,175],"compounds":[125],"whose":[126],"electronic":[130],"properties":[131],"are":[132],"especially":[133],"studied":[134],"calculated.":[136],"Properties":[137],"hardness":[140],"(\u0273),":[141],"softness":[142],"(\u03c3),":[143],"electronegativity":[144],"(\u03c7)":[145],"values":[146],"computed":[148],"these":[150],"measurement":[151],"results":[152],"inhibitor":[154,178],"activity.":[155],"fraction":[157],"transferred":[159],"electrons":[160],"(\u0394N)":[161],"also":[163],"calculated,":[164],"which":[165],"determined":[166],"interaction":[168],"between":[169,196],"iron":[171],"surface":[172],"compounds.":[176],"Corrosion":[177],"behavior":[179],"can":[180],"therefore":[181],"be":[182],"predicted":[183],"without":[184],"an":[185],"study.":[187],"findings":[189],"calculations":[192],"show":[193],"good":[194],"relation":[195],"organic-based":[197],"inhibitors":[199],"quantum":[201],"process.":[204]},"counts_by_year":[{"year":2026,"cited_by_count":1},{"year":2025,"cited_by_count":2},{"year":2024,"cited_by_count":5},{"year":2023,"cited_by_count":3},{"year":2022,"cited_by_count":2}],"updated_date":"2026-11-04T10:54:05.112534","created_date":"2021-09-27T00:00:00"}
