{"id":"https://openalex.org/W2990127353","doi":"https://doi.org/10.1515/psr-2018-0176","title":"Investigation of the aromaticity of mono, di, tri and tetraazaphenanthrene derivatives","display_name":"Investigation of the aromaticity of mono, di, tri and tetraazaphenanthrene derivatives","publication_year":2019,"publication_date":"2019-11-20","ids":{"openalex":"https://openalex.org/W2990127353","doi":"https://doi.org/10.1515/psr-2018-0176","mag":"2990127353"},"language":"en","primary_location":{"id":"doi:10.1515/psr-2018-0176","doi":"https://doi.org/10.1515/psr-2018-0176","is_oa":false,"landing_page_url":"https://doi.org/10.1515/psr-2018-0176","pdf_url":null,"source":{"id":"https://openalex.org/S2764778717","display_name":"Physical Sciences Reviews","issn_l":"2365-6581","issn":["2365-6581","2365-659X"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["cwts-core","jufo-1","poland-20","vabb-shw"],"host_organization":"https://openalex.org/P4310313990","host_organization_name":"De Gruyter","host_organization_lineage":["https://openalex.org/P4310313990"],"host_organization_lineage_names":["De Gruyter"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Physical Sciences Reviews","raw_type":"journal-article"},"volume":null,"type":"article","is_traditional":true,"indexed_in":["crossref"],"open_access":{"is_oa":false,"oa_status":"closed","oa_url":null,"any_repository_has_fulltext":false},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5015646198","display_name":"Erhan \u00d6zt\u00fcrk","orcid":"https://orcid.org/0000-0003-4006-2428","observed_orcids":["https://orcid.org/0000-0003-4006-2428"]},"institutions":[{"id":"https://openalex.org/I118567650","display_name":"Van Y\u00fcz\u00fcnc\u00fc Y\u0131l \u00dcniversitesi","ror":"https://ror.org/041jyzp61","country_code":"TR","type":"education","lineage":["https://openalex.org/I118567650"]},{"id":"https://openalex.org/I344703621","display_name":"I\u011fd\u0131r \u00dcniversitesi","ror":"https://ror.org/05jstgx72","country_code":"TR","type":"education","lineage":["https://openalex.org/I344703621"]}],"countries":["TR"],"is_corresponding":false,"raw_author_name":"Erhan \u00d6zt\u00fcrk","raw_affiliation_strings":["Science Application and Research Center, Igdir University, Igdir, Turkey","Faculty of Science, Department of Chemistry, Van Yuzuncu Yil University, Van65080, Turkey"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Science Application and Research Center, Igdir University, Igdir, Turkey","institution_ids":["https://openalex.org/I344703621"]},{"raw_affiliation_string":"Faculty of Science, Department of Chemistry, Van Yuzuncu Yil University, Van65080, Turkey","institution_ids":["https://openalex.org/I118567650"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5046515997","display_name":"Zeynep \u015eilan TURHAN","orcid":"https://orcid.org/0000-0002-3587-2576","observed_orcids":["https://orcid.org/0000-0002-3587-2576"]},"institutions":[{"id":"https://openalex.org/I344703621","display_name":"I\u011fd\u0131r \u00dcniversitesi","ror":"https://ror.org/05jstgx72","country_code":"TR","type":"education","lineage":["https://openalex.org/I344703621"]}],"countries":["TR"],"is_corresponding":false,"raw_author_name":"Zeynep Turhan \u0130rak","raw_affiliation_strings":["Faculty of Engineering, Department of Environmental Engineering, Igdir University, Igd\u0131r Unv. Seh\u0131t Bulent Yurtseven Campus, Suveren, Merkez, Igdir76000, Turkey"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Faculty of Engineering, Department of Environmental Engineering, Igdir University, Igd\u0131r Unv. Seh\u0131t Bulent Yurtseven Campus, Suveren, Merkez, Igdir76000, Turkey","institution_ids":["https://openalex.org/I344703621"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5060947219","display_name":"Necdet Karakoyun","orcid":"https://orcid.org/0000-0002-6083-6921","observed_orcids":["https://orcid.org/0000-0002-6083-6921"]},"institutions":[{"id":"https://openalex.org/I118567650","display_name":"Van Y\u00fcz\u00fcnc\u00fc Y\u0131l \u00dcniversitesi","ror":"https://ror.org/041jyzp61","country_code":"TR","type":"education","lineage":["https://openalex.org/I118567650"]}],"countries":["TR"],"is_corresponding":false,"raw_author_name":"Necdet Karakoyun","raw_affiliation_strings":["Faculty of Science, Department of Chemistry, Van Yuzuncu Yil University, Van65080, Turkey"],"raw_orcid":"https://orcid.org/0000-0002-6083-6921","affiliations":[{"raw_affiliation_string":"Faculty of Science, Department of Chemistry, Van Yuzuncu Yil University, Van65080, Turkey","institution_ids":["https://openalex.org/I118567650"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5066561923","display_name":"Ay\u015feg\u00fcl G\u00fcm\u00fc\u015f","orcid":"https://orcid.org/0000-0002-1613-7074","observed_orcids":["https://orcid.org/0000-0002-1613-7074"]},"institutions":[{"id":"https://openalex.org/I118567650","display_name":"Van Y\u00fcz\u00fcnc\u00fc Y\u0131l \u00dcniversitesi","ror":"https://ror.org/041jyzp61","country_code":"TR","type":"education","lineage":["https://openalex.org/I118567650"]}],"countries":["TR"],"is_corresponding":false,"raw_author_name":"Ay\u015feg\u00fcl G\u00fcm\u00fc\u015f","raw_affiliation_strings":["Faculty of Science, Department of Chemistry, Van Yuzuncu Yil University, Van65080, Turkey"],"raw_orcid":"https://orcid.org/0000-0002-1613-7074","affiliations":[{"raw_affiliation_string":"Faculty of Science, Department of Chemistry, Van Yuzuncu Yil University, Van65080, Turkey","institution_ids":["https://openalex.org/I118567650"]}]},{"author_position":"last","author":{"id":null,"display_name":"Sel\u00e7uk G\u00fcm\u00fc\u015f","orcid":"https://orcid.org/0000-0002-8628-8943","observed_orcids":["https://orcid.org/0000-0002-8628-8943"]},"institutions":[{"id":"https://openalex.org/I118567650","display_name":"Van Y\u00fcz\u00fcnc\u00fc Y\u0131l \u00dcniversitesi","ror":"https://ror.org/041jyzp61","country_code":"TR","type":"education","lineage":["https://openalex.org/I118567650"]}],"countries":["TR"],"is_corresponding":true,"raw_author_name":"Sel\u00e7uk G\u00fcm\u00fc\u015f","raw_affiliation_strings":["Faculty of Science, Department of Chemistry, Van Yuzuncu Yil University, Van65080, Turkey"],"raw_orcid":"https://orcid.org/0000-0002-8628-8943","affiliations":[{"raw_affiliation_string":"Faculty of Science, Department of Chemistry, Van Yuzuncu Yil University, Van65080, Turkey","institution_ids":["https://openalex.org/I118567650"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":2,"corresponding_author_ids":[],"corresponding_institution_ids":["https://openalex.org/I118567650"],"apc_list":{"value":2400,"currency":"EUR","value_usd":2712},"apc_paid":null,"fwci":0.0,"has_fulltext":false,"cited_by_count":0,"citation_normalized_percentile":{"value":0.0906518,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":null,"biblio":{"volume":"5","issue":"3","first_page":null,"last_page":null},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T11298","display_name":"Synthesis and Properties of Aromatic Compounds","score":0.9990000128746033,"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"}},"topics":[{"id":"https://openalex.org/T11298","display_name":"Synthesis and Properties of Aromatic Compounds","score":0.9990000128746033,"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"}},{"id":"https://openalex.org/T12653","display_name":"Cyclization and Aryne Chemistry","score":0.00019999999494757503,"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"}},{"id":"https://openalex.org/T11476","display_name":"Graph theory and applications","score":9.999999747378752e-05,"subfield":{"id":"https://openalex.org/subfields/2607","display_name":"Discrete Mathematics and Combinatorics"},"field":{"id":"https://openalex.org/fields/26","display_name":"Mathematics"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/aromaticity","display_name":"aromaticity","score":0.8799999952316284},{"id":"https://openalex.org/keywords/nitrogen-substitution","display_name":"nitrogen substitution","score":0.6100000143051147},{"id":"https://openalex.org/keywords/electron-withdrawing-substituents","display_name":"electron-withdrawing substituents","score":0.8370000123977661},{"id":"https://openalex.org/keywords/substituent-position-effects","display_name":"substituent position effects","score":0.781000018119812},{"id":"https://openalex.org/keywords/nics","display_name":"NICS","score":0.8069999814033508},{"id":"https://openalex.org/keywords/homa","display_name":"HOMA","score":0.9259999990463257}],"concepts":[{"id":"https://openalex.org/C192386470","wikidata":"https://www.wikidata.org/wiki/Q210390","display_name":"Aromaticity","level":3,"score":0.9619832634925842},{"id":"https://openalex.org/C20950531","wikidata":"https://www.wikidata.org/wiki/Q161940","display_name":"Heteroatom","level":3,"score":0.9064023494720459},{"id":"https://openalex.org/C2778689049","wikidata":"https://www.wikidata.org/wiki/Q898422","display_name":"Substituent","level":2,"score":0.8857693672180176},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.7489421367645264},{"id":"https://openalex.org/C121349320","wikidata":"https://www.wikidata.org/wiki/Q285851","display_name":"Vicinal","level":2,"score":0.6823992729187012},{"id":"https://openalex.org/C35396096","wikidata":"https://www.wikidata.org/wiki/Q3238654","display_name":"Polar effect","level":2,"score":0.5051916241645813},{"id":"https://openalex.org/C2776891815","wikidata":"https://www.wikidata.org/wiki/Q422037","display_name":"Phenanthrene","level":2,"score":0.4832209348678589},{"id":"https://openalex.org/C537208039","wikidata":"https://www.wikidata.org/wiki/Q627","display_name":"Nitrogen","level":2,"score":0.4466964602470398},{"id":"https://openalex.org/C147597530","wikidata":"https://www.wikidata.org/wiki/Q369472","display_name":"Computational chemistry","level":1,"score":0.4361459016799927},{"id":"https://openalex.org/C2780378348","wikidata":"https://www.wikidata.org/wiki/Q25351438","display_name":"Ring (chemistry)","level":2,"score":0.40929895639419556},{"id":"https://openalex.org/C71240020","wikidata":"https://www.wikidata.org/wiki/Q186011","display_name":"Stereochemistry","level":1,"score":0.3284863233566284},{"id":"https://openalex.org/C155647269","wikidata":"https://www.wikidata.org/wiki/Q243455","display_name":"Medicinal chemistry","level":1,"score":0.21435075998306274},{"id":"https://openalex.org/C32909587","wikidata":"https://www.wikidata.org/wiki/Q11369","display_name":"Molecule","level":2,"score":0.16751396656036377},{"id":"https://openalex.org/C178790620","wikidata":"https://www.wikidata.org/wiki/Q11351","display_name":"Organic chemistry","level":1,"score":0.16562578082084656}],"mesh":[],"locations_count":2,"locations":[{"id":"doi:10.1515/psr-2018-0176","doi":"https://doi.org/10.1515/psr-2018-0176","is_oa":false,"landing_page_url":"https://doi.org/10.1515/psr-2018-0176","pdf_url":null,"source":{"id":"https://openalex.org/S2764778717","display_name":"Physical Sciences Reviews","issn_l":"2365-6581","issn":["2365-6581","2365-659X"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["cwts-core","jufo-1","poland-20","vabb-shw"],"host_organization":"https://openalex.org/P4310313990","host_organization_name":"De Gruyter","host_organization_lineage":["https://openalex.org/P4310313990"],"host_organization_lineage_names":["De Gruyter"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Physical Sciences Reviews","raw_type":"journal-article"},{"id":"pmh:8003eb57-f81c-40b3-8b7e-65812289dd1f","doi":null,"is_oa":false,"landing_page_url":"https://avesis.yyu.edu.tr/publication/details/8003eb57-f81c-40b3-8b7e-65812289dd1f/oai","pdf_url":null,"source":{"id":"https://openalex.org/S7407055328","display_name":"Van Y\u00fcz\u00fcnc\u00fc Y\u0131l University Academic Data Management System","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":null,"host_organization_name":null,"host_organization_lineage":[],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":null,"raw_type":"info:eu-repo/semantics/article"}],"best_oa_location":null,"sustainable_development_goals":[],"study_designs":[],"awards":[],"funders":[],"has_content":{"grobid_xml":false,"pdf":false},"content_urls":null,"referenced_works_count":33,"referenced_works":["https://openalex.org/W1981393511","https://openalex.org/W1989727052","https://openalex.org/W2006895914","https://openalex.org/W2009319302","https://openalex.org/W2012325942","https://openalex.org/W2023271753","https://openalex.org/W2036578811","https://openalex.org/W2038268300","https://openalex.org/W2038533471","https://openalex.org/W2043383327","https://openalex.org/W2057664629","https://openalex.org/W2069736088","https://openalex.org/W2070005238","https://openalex.org/W2071630193","https://openalex.org/W2083905668","https://openalex.org/W2086813616","https://openalex.org/W2086957099","https://openalex.org/W2091493559","https://openalex.org/W2093387395","https://openalex.org/W2103580026","https://openalex.org/W2106478879","https://openalex.org/W2115256273","https://openalex.org/W2115744735","https://openalex.org/W2122966693","https://openalex.org/W2127336290","https://openalex.org/W2155358697","https://openalex.org/W2230728100","https://openalex.org/W2322919630","https://openalex.org/W2771527788","https://openalex.org/W2949394667","https://openalex.org/W2952058649","https://openalex.org/W4211261436","https://openalex.org/W4240320014"],"related_works":["https://openalex.org/W4213188182","https://openalex.org/W7132671678","https://openalex.org/W2755472973","https://openalex.org/W2922215460","https://openalex.org/W2333766875","https://openalex.org/W1952588270","https://openalex.org/W2891770649","https://openalex.org/W2093387395","https://openalex.org/W2075515035","https://openalex.org/W1980030991"],"abstract_inverted_index":{"Abstract":[0],"In":[1,94],"this":[2],"chapter":[3],"mono,":[4],"di,":[5],"tri":[6],"and":[7],"tetraaza":[8],"substituted":[9,132],"phenanthrene":[10],"derivatives":[11],"have":[12,68],"been":[13,69,104],"investigated":[14],"computationally":[15],"with":[16,31],"B3LYP/6-31":[17],"+":[18],"G(d,p)":[19],"level":[20],"of":[21,24,27,44,46,60,82,90,99],"theory.":[22],"Substitution":[23],"carbon":[25],"atom":[26],"the":[28,35,42,47,61,80,83,88,91,96,100,121,130],"main":[29],"structure":[30],"nitrogen":[32],"obviously":[33],"disturbs":[34],"aromaticity,":[36],"indeed":[37],"it":[38],"decreases":[39],"it.":[40],"Thus,":[41],"idea":[43],"regaining":[45],"aromaticity":[48],"back":[49],"by":[50],"using":[51],"electron":[52,122],"withdrawing":[53,123],"groups":[54,126],"came":[55],"across.":[56],"As":[57],"a":[58],"result":[59],"computational":[62],"calculations,":[63],"energetically":[64],"most":[65],"unfavored":[66],"structures":[67],"found":[70],"to":[71,129],"be":[72],"those":[73],"where":[74],"aza":[75],"substitutiona":[76],"are":[77,127],"vicinal.":[78],"Secondly,":[79],"aromaticities":[81],"present":[84],"species":[85],"depend":[86],"on":[87],"position":[89,98],"centric":[92],"substituent.":[93],"addition,":[95],"effect":[97],"side":[101],"substituent":[102],"has":[103],"considered.":[105],"The":[106],"system":[107],"becomes":[108],"more":[109],"aromatic":[110],"(possess":[111],"greater":[112],"negative":[113],"NICS":[114],"values":[115],"or":[116,125],"smaller":[117],"HOMA":[118],"value)":[119],"when":[120],"atoms":[124],"adjacent":[128],"centrically":[131],"heteroatoms.":[133]},"counts_by_year":[],"updated_date":"2026-08-21T09:56:20.448147","created_date":"2019-12-05T00:00:00"}
