{"id":"https://openalex.org/W2029622917","doi":"https://doi.org/10.1039/a703742b","title":"Probing the charge delocalization mode in methyl-, dimethyl- and methylene-bridged phenanthrenium ions. NMR studies of persistent mono- and di-cations and AM1 calculations","display_name":"Probing the charge delocalization mode in methyl-, dimethyl- and methylene-bridged phenanthrenium ions. NMR studies of persistent mono- and di-cations and AM1 calculations","publication_year":1997,"publication_date":"1997-01-01","ids":{"openalex":"https://openalex.org/W2029622917","doi":"https://doi.org/10.1039/a703742b","mag":"2029622917"},"language":"en","primary_location":{"id":"doi:10.1039/a703742b","doi":"https://doi.org/10.1039/a703742b","is_oa":false,"landing_page_url":"https://doi.org/10.1039/a703742b","pdf_url":null,"source":{"id":"https://openalex.org/S4210187049","display_name":"Journal of the Chemical Society Perkin Transactions 2","issn_l":"0300-9580","issn":["0300-9580","1364-5471","1472-779X","2050-8239"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["cwts-core","norway-1"],"host_organization":"https://openalex.org/P4310320556","host_organization_name":"Royal Society of Chemistry","host_organization_lineage":["https://openalex.org/P4310320556"],"host_organization_lineage_names":["Royal Society of Chemistry"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of the Chemical Society, Perkin Transactions 2","raw_type":"journal-article"},"volume":null,"type":"article","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/A5040503085","display_name":"Kenneth Khosrow Laali","orcid":"https://orcid.org/0000-0002-0294-844X","observed_orcids":["https://orcid.org/0000-0002-0294-844X"]},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Kenneth K. Laali","raw_affiliation_strings":[],"raw_orcid":null,"affiliations":[]},{"author_position":"middle","author":{"id":"https://openalex.org/A5049052472","display_name":"Sandro Hollenstein","orcid":null,"observed_orcids":[]},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Sandro Hollenstein","raw_affiliation_strings":[],"raw_orcid":null,"affiliations":[]},{"author_position":"last","author":{"id":"https://openalex.org/A5040629780","display_name":"Poul Erik Hansen","orcid":"https://orcid.org/0000-0003-4751-9910","observed_orcids":["https://orcid.org/0000-0003-4751-9910"]},"institutions":[{"id":"https://openalex.org/I107707843","display_name":"Roskilde University","ror":"https://ror.org/014axpa37","country_code":"DK","type":"education","lineage":["https://openalex.org/I107707843"]}],"countries":["DK"],"is_corresponding":false,"raw_author_name":"Poul Erik Hansen","raw_affiliation_strings":["Department of Science and Environment, Roskilde University"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Science and Environment, Roskilde University","institution_ids":["https://openalex.org/I107707843"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":1,"corresponding_author_ids":[],"corresponding_institution_ids":[],"apc_list":null,"apc_paid":null,"fwci":0.2262,"has_fulltext":false,"cited_by_count":6,"citation_normalized_percentile":{"value":0.44632991,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":null,"biblio":{"volume":null,"issue":"11","first_page":"2207","last_page":"2214"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T14068","display_name":"Organic and Inorganic Chemical Reactions","score":0.9940999746322632,"subfield":{"id":"https://openalex.org/subfields/1607","display_name":"Spectroscopy"},"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/T14068","display_name":"Organic and Inorganic Chemical Reactions","score":0.9940999746322632,"subfield":{"id":"https://openalex.org/subfields/1607","display_name":"Spectroscopy"},"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/T11298","display_name":"Synthesis and Properties of Aromatic Compounds","score":0.002400000113993883,"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/T12191","display_name":"Chemical Reaction Mechanisms","score":0.0020000000949949026,"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/methylphenanthrenes","display_name":"methylphenanthrenes","score":0.8040000200271606},{"id":"https://openalex.org/keywords/charge-delocalization","display_name":"charge delocalization","score":0.8320000171661377},{"id":"https://openalex.org/keywords/13c-nmr-chemical-shifts","display_name":"13C NMR chemical shifts","score":0.7059999704360962},{"id":"https://openalex.org/keywords/am1-calculations","display_name":"AM1 calculations","score":0.9350000023841858},{"id":"https://openalex.org/keywords/solvolytic-rearrangement","display_name":"solvolytic rearrangement","score":0.675000011920929}],"concepts":[{"id":"https://openalex.org/C2779409356","wikidata":"https://www.wikidata.org/wiki/Q407364","display_name":"Superacid","level":3,"score":0.9033235311508179},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.8138842582702637},{"id":"https://openalex.org/C30095370","wikidata":"https://www.wikidata.org/wiki/Q899488","display_name":"Protonation","level":3,"score":0.79802405834198},{"id":"https://openalex.org/C2776891815","wikidata":"https://www.wikidata.org/wiki/Q422037","display_name":"Phenanthrene","level":2,"score":0.6879545450210571},{"id":"https://openalex.org/C2777454769","wikidata":"https://www.wikidata.org/wiki/Q11172462","display_name":"Methylene","level":2,"score":0.657046914100647},{"id":"https://openalex.org/C70050531","wikidata":"https://www.wikidata.org/wiki/Q899089","display_name":"Delocalized electron","level":2,"score":0.6427496671676636},{"id":"https://openalex.org/C145148216","wikidata":"https://www.wikidata.org/wiki/Q36496","display_name":"Ion","level":2,"score":0.626960277557373},{"id":"https://openalex.org/C75473681","wikidata":"https://www.wikidata.org/wiki/Q188651","display_name":"Photochemistry","level":1,"score":0.47747182846069336},{"id":"https://openalex.org/C147597530","wikidata":"https://www.wikidata.org/wiki/Q369472","display_name":"Computational chemistry","level":1,"score":0.4589492082595825},{"id":"https://openalex.org/C155647269","wikidata":"https://www.wikidata.org/wiki/Q243455","display_name":"Medicinal chemistry","level":1,"score":0.45553186535835266},{"id":"https://openalex.org/C178790620","wikidata":"https://www.wikidata.org/wiki/Q11351","display_name":"Organic chemistry","level":1,"score":0.24497279524803162},{"id":"https://openalex.org/C161790260","wikidata":"https://www.wikidata.org/wiki/Q82264","display_name":"Catalysis","level":2,"score":0.04718714952468872}],"mesh":[],"locations_count":2,"locations":[{"id":"doi:10.1039/a703742b","doi":"https://doi.org/10.1039/a703742b","is_oa":false,"landing_page_url":"https://doi.org/10.1039/a703742b","pdf_url":null,"source":{"id":"https://openalex.org/S4210187049","display_name":"Journal of the Chemical Society Perkin Transactions 2","issn_l":"0300-9580","issn":["0300-9580","1364-5471","1472-779X","2050-8239"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["cwts-core","norway-1"],"host_organization":"https://openalex.org/P4310320556","host_organization_name":"Royal Society of Chemistry","host_organization_lineage":["https://openalex.org/P4310320556"],"host_organization_lineage_names":["Royal Society of Chemistry"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of the Chemical Society, Perkin Transactions 2","raw_type":"journal-article"},{"id":"pmh:oai:pure.atira.dk:publications/bf08d7d0-52ce-11db-8236-000ea68e967b","doi":null,"is_oa":false,"landing_page_url":"https://forskning.ruc.dk/da/publications/bf08d7d0-52ce-11db-8236-000ea68e967b","pdf_url":null,"source":{"id":"https://openalex.org/S4306401457","display_name":"RUCforsk (Roskilde University)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/I107707843","host_organization_name":"Roskilde University","host_organization_lineage":["https://openalex.org/I107707843"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"Laali, K K, Hollenstein, S & Hansen, P E 1997, 'Probing the charge delocalization mode in methyl-, dimethyl- and methylene-bridged phenanthrenium ions : NMR studies of persistent mono- and di-cations and AM1 calculations', Journal of the Chemical Society. Perkin Transactions 2 (2001), pp. 2207-2213.","raw_type":"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":25,"referenced_works":["https://openalex.org/W1973023749","https://openalex.org/W1979453645","https://openalex.org/W1987449250","https://openalex.org/W1993876221","https://openalex.org/W1995127090","https://openalex.org/W2002905615","https://openalex.org/W2005539441","https://openalex.org/W2030577313","https://openalex.org/W2049111759","https://openalex.org/W2050160082","https://openalex.org/W2065980117","https://openalex.org/W2072318845","https://openalex.org/W2073391944","https://openalex.org/W2091116285","https://openalex.org/W2114522197","https://openalex.org/W2114913799","https://openalex.org/W2949140854","https://openalex.org/W2951048271","https://openalex.org/W2951129461","https://openalex.org/W2951437235","https://openalex.org/W2951503232","https://openalex.org/W2951697641","https://openalex.org/W2952175888","https://openalex.org/W2952920912","https://openalex.org/W3005407165"],"related_works":["https://openalex.org/W2273027150","https://openalex.org/W1993680882","https://openalex.org/W1990668578","https://openalex.org/W2114424036","https://openalex.org/W2041704061","https://openalex.org/W2048333899","https://openalex.org/W2034718117","https://openalex.org/W4400664973","https://openalex.org/W1977816687","https://openalex.org/W2050077081"],"abstract_inverted_index":{"Superacid":[0],"protonation":[1,28],"studies":[2,108,114],"are":[3,20,39,50,95],"reported":[4],"on":[5],"2-methyl-":[6],"(1),":[7],"3-methyl-":[8],"(2),":[9],"3,6-dimethyl-phenanthrene":[10],"(3)":[11],"and":[12,37,48,69,93,97,106,111,117],"4H-cyclopenta[def]phenanthrene":[13],"(4).":[14],"In":[15],"FSO3H\u2013SO2ClF":[16],"persistent":[17],"monocations":[18],"1H+\u20134H+":[19],"generated.":[21],"3":[22],"gives":[23],"a":[24],"symmetrical":[25],"dication":[26],"by":[27,56],"with":[29,33],"FSO3H\u00b7SbF5":[30],"(4\u22361)\u2013SO2ClF":[31],"or":[32],"\u2018magic":[34,43],"acid\u2019\u2013SO2ClF.":[35,44],"1":[36],"2":[38],"partially":[40],"diprotonated":[41],"in":[42,51,73,90],"The":[45,86],"observed":[46],"mono-":[47,92],"di-cations":[49,94],"most":[52,61],"cases":[53],"those":[54],"predicted":[55],"AM1":[57,70,107],"to":[58],"be":[59],"the":[60,65,91,112],"stable.":[62],"Correlation":[63],"between":[64,103],"magnitude":[66],"of":[67,109,115],"\u0394\u03b413C":[68],"calculated":[71],"changes":[72,75],"carbon":[74],"[\u0394q":[76],"=":[77],"qc":[78,81],"(ion)":[79],"\u2013":[80],"(neutral)]":[82],"is":[83,101],"also":[84],"examined.":[85],"charge":[87],"alternation":[88],"paths":[89],"compared":[96],"discussed.":[98],"A":[99],"parallel":[100],"drawn":[102],"stable":[104],"ion":[105],"methylphenanthrenes":[110],"solvolytic":[113],"K-region":[116],"non-K-region":[118],"phenanthrene":[119],"oxides.":[120]},"counts_by_year":[],"updated_date":"2026-09-22T06:50:58.402377","created_date":"2016-06-24T00:00:00"}