{"id":"https://openalex.org/W2031785166","doi":"https://doi.org/10.1080/10587259608033683","title":"Electronic and Molecular Structures of Quintet Bisnitrenes as Studied by Fine-Structure ESR Spectra from Random Orientation: All the Documented ZFS Constants Correct?","display_name":"Electronic and Molecular Structures of Quintet Bisnitrenes as Studied by Fine-Structure ESR Spectra from Random Orientation: All the Documented ZFS Constants Correct?","publication_year":1996,"publication_date":"1996-03-01","ids":{"openalex":"https://openalex.org/W2031785166","doi":"https://doi.org/10.1080/10587259608033683","mag":"2031785166"},"language":"en","primary_location":{"id":"doi:10.1080/10587259608033683","doi":"https://doi.org/10.1080/10587259608033683","is_oa":false,"landing_page_url":"https://doi.org/10.1080/10587259608033683","pdf_url":null,"source":{"id":"https://openalex.org/S4210222374","display_name":"Molecular crystals and liquid crystals science technology. Section A, Molecular crystals and liquid crystals/Molecular crystals and liquid crystals science and technology. Section A, Molecular crystals and liquid crystals","issn_l":"1026-5422","issn":["1026-5422","1058-725X"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["cwts-core"],"host_organization":null,"host_organization_name":null,"host_organization_lineage":[],"host_organization_lineage_names":[],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Molecular Crystals and Liquid Crystals Science and Technology. Section A. Molecular Crystals and Liquid Crystals","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/A5063350216","display_name":"T. Fukuzawa","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I317356780","display_name":"Osaka City University","ror":"https://ror.org/02skfsw40","country_code":"JP","type":"education","lineage":["https://openalex.org/I317356780","https://openalex.org/I4387152983"]}],"countries":["JP"],"is_corresponding":false,"raw_author_name":"Tor A. Fukuzawa","raw_affiliation_strings":["a   Department of Chemistry, Faculty of Science , Osaka City University , Sumiyoshi-ku,  Osaka ,  558 ,  Japan","Department of Chemistry, Faculty of Science , Osaka City University , Sumiyoshi-ku, Osaka , 558 , Japan"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"a   Department of Chemistry, Faculty of Science , Osaka City University , Sumiyoshi-ku,  Osaka ,  558 ,  Japan","institution_ids":["https://openalex.org/I317356780"]},{"raw_affiliation_string":"Department of Chemistry, Faculty of Science , Osaka City University , Sumiyoshi-ku, Osaka , 558 , Japan","institution_ids":["https://openalex.org/I317356780"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5087940155","display_name":"Kazunobu Sato","orcid":"https://orcid.org/0000-0003-1274-7470","observed_orcids":["https://orcid.org/0000-0003-1274-7470"]},"institutions":[{"id":"https://openalex.org/I317356780","display_name":"Osaka City University","ror":"https://ror.org/02skfsw40","country_code":"JP","type":"education","lineage":["https://openalex.org/I317356780","https://openalex.org/I4387152983"]}],"countries":["JP"],"is_corresponding":false,"raw_author_name":"Kazunobu Sato","raw_affiliation_strings":["a   Department of Chemistry, Faculty of Science , Osaka City University , Sumiyoshi-ku,  Osaka ,  558 ,  Japan","Department of Chemistry, Faculty of Science , Osaka City University , Sumiyoshi-ku, Osaka , 558 , Japan"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"a   Department of Chemistry, Faculty of Science , Osaka City University , Sumiyoshi-ku,  Osaka ,  558 ,  Japan","institution_ids":["https://openalex.org/I317356780"]},{"raw_affiliation_string":"Department of Chemistry, Faculty of Science , Osaka City University , Sumiyoshi-ku, Osaka , 558 , Japan","institution_ids":["https://openalex.org/I317356780"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5017000872","display_name":"Andrew S. Ichimura","orcid":"https://orcid.org/0000-0002-7826-102X","observed_orcids":["https://orcid.org/0000-0002-7826-102X"]},"institutions":[{"id":"https://openalex.org/I317356780","display_name":"Osaka City University","ror":"https://ror.org/02skfsw40","country_code":"JP","type":"education","lineage":["https://openalex.org/I317356780","https://openalex.org/I4387152983"]}],"countries":["JP"],"is_corresponding":false,"raw_author_name":"Andrew S. Ichimura","raw_affiliation_strings":["b   Department of Material Science, Faculty of Science , Osaka City University , Sumiyoshi-ku,  Osaka ,  558 ,  Japan","Department of Material Science, Faculty of Science , Osaka City University , Sumiyoshi-ku, Osaka , 558 , Japan"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"b   Department of Material Science, Faculty of Science , Osaka City University , Sumiyoshi-ku,  Osaka ,  558 ,  Japan","institution_ids":["https://openalex.org/I317356780"]},{"raw_affiliation_string":"Department of Material Science, Faculty of Science , Osaka City University , Sumiyoshi-ku, Osaka , 558 , Japan","institution_ids":["https://openalex.org/I317356780"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5083213405","display_name":"Takamasa Kinoshita","orcid":"https://orcid.org/0000-0002-0465-2140","observed_orcids":["https://orcid.org/0000-0002-0465-2140"]},"institutions":[{"id":"https://openalex.org/I317356780","display_name":"Osaka City University","ror":"https://ror.org/02skfsw40","country_code":"JP","type":"education","lineage":["https://openalex.org/I317356780","https://openalex.org/I4387152983"]}],"countries":["JP"],"is_corresponding":false,"raw_author_name":"Takamasa Kinoshita","raw_affiliation_strings":["a   Department of Chemistry, Faculty of Science , Osaka City University , Sumiyoshi-ku,  Osaka ,  558 ,  Japan","Department of Chemistry, Faculty of Science , Osaka City University , Sumiyoshi-ku, Osaka , 558 , Japan"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"a   Department of Chemistry, Faculty of Science , Osaka City University , Sumiyoshi-ku,  Osaka ,  558 ,  Japan","institution_ids":["https://openalex.org/I317356780"]},{"raw_affiliation_string":"Department of Chemistry, Faculty of Science , Osaka City University , Sumiyoshi-ku, Osaka , 558 , Japan","institution_ids":["https://openalex.org/I317356780"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5064000782","display_name":"Takeji Takui","orcid":"https://orcid.org/0000-0001-6238-5215","observed_orcids":["https://orcid.org/0000-0001-6238-5215"]},"institutions":[{"id":"https://openalex.org/I317356780","display_name":"Osaka City University","ror":"https://ror.org/02skfsw40","country_code":"JP","type":"education","lineage":["https://openalex.org/I317356780","https://openalex.org/I4387152983"]}],"countries":["JP"],"is_corresponding":false,"raw_author_name":"Takeji Takui","raw_affiliation_strings":["a   Department of Chemistry, Faculty of Science , Osaka City University , Sumiyoshi-ku,  Osaka ,  558 ,  Japan","Department of Chemistry, Faculty of Science , Osaka City University , Sumiyoshi-ku, Osaka , 558 , Japan"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"a   Department of Chemistry, Faculty of Science , Osaka City University , Sumiyoshi-ku,  Osaka ,  558 ,  Japan","institution_ids":["https://openalex.org/I317356780"]},{"raw_affiliation_string":"Department of Chemistry, Faculty of Science , Osaka City University , Sumiyoshi-ku, Osaka , 558 , Japan","institution_ids":["https://openalex.org/I317356780"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5097773368","display_name":"Koichiitoh","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I317356780","display_name":"Osaka City University","ror":"https://ror.org/02skfsw40","country_code":"JP","type":"education","lineage":["https://openalex.org/I317356780","https://openalex.org/I4387152983"]}],"countries":["JP"],"is_corresponding":false,"raw_author_name":"Koichiitoh","raw_affiliation_strings":["b   Department of Material Science, Faculty of Science , Osaka City University , Sumiyoshi-ku,  Osaka ,  558 ,  Japan","Department of Material Science, Faculty of Science , Osaka City University , Sumiyoshi-ku, Osaka , 558 , Japan"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"b   Department of Material Science, Faculty of Science , Osaka City University , Sumiyoshi-ku,  Osaka ,  558 ,  Japan","institution_ids":["https://openalex.org/I317356780"]},{"raw_affiliation_string":"Department of Material Science, Faculty of Science , Osaka City University , Sumiyoshi-ku, Osaka , 558 , Japan","institution_ids":["https://openalex.org/I317356780"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5051206276","display_name":"Paul M. Lahti","orcid":"https://orcid.org/0000-0003-4255-4733","observed_orcids":["https://orcid.org/0000-0003-4255-4733"]},"institutions":[{"id":"https://openalex.org/I24603500","display_name":"University of Massachusetts Amherst","ror":"https://ror.org/0072zz521","country_code":"US","type":"education","lineage":["https://openalex.org/I24603500"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Paul M. Lahti","raw_affiliation_strings":["c   Department of Chemistry , University of Massachusetts ,  Amherst ,  MA ,  01003 ,  USA","Department of Chemistry , University of Massachusetts , Amherst , MA , 01003 , USA"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"c   Department of Chemistry , University of Massachusetts ,  Amherst ,  MA ,  01003 ,  USA","institution_ids":["https://openalex.org/I24603500"]},{"raw_affiliation_string":"Department of Chemistry , University of Massachusetts , Amherst , MA , 01003 , USA","institution_ids":["https://openalex.org/I24603500"]}]}],"institutions":[],"countries_distinct_count":2,"institutions_distinct_count":2,"corresponding_author_ids":[],"corresponding_institution_ids":[],"apc_list":null,"apc_paid":null,"fwci":0.4381,"has_fulltext":false,"cited_by_count":36,"citation_normalized_percentile":{"value":0.46906514,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":93,"max":98},"biblio":{"volume":"278","issue":"1","first_page":"253","last_page":"260"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T12381","display_name":"Electron Spin Resonance Studies","score":0.6563000082969666,"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/T12381","display_name":"Electron Spin Resonance Studies","score":0.6563000082969666,"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/T10612","display_name":"Magnetism in coordination complexes","score":0.1680999994277954,"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/T13253","display_name":"Photolysis and Reactive Intermediates","score":0.1316000074148178,"subfield":{"id":"https://openalex.org/subfields/1606","display_name":"Physical and Theoretical 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/hyperfine-coupling-constants","display_name":"hyperfine coupling constants","score":0.7639999985694885},{"id":"https://openalex.org/keywords/fine-structure-tensor","display_name":"fine structure tensor","score":0.8230000138282776},{"id":"https://openalex.org/keywords/molecular-magnetism","display_name":"molecular magnetism","score":0.6110000014305115}],"concepts":[{"id":"https://openalex.org/C16345878","wikidata":"https://www.wikidata.org/wiki/Q107472979","display_name":"Orientation (vector space)","level":2,"score":0.6290910243988037},{"id":"https://openalex.org/C4839761","wikidata":"https://www.wikidata.org/wiki/Q212111","display_name":"Spectral line","level":2,"score":0.5714945197105408},{"id":"https://openalex.org/C2780809723","wikidata":"https://www.wikidata.org/wiki/Q407290","display_name":"Nitrobenzene","level":3,"score":0.5297302603721619},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.521107017993927},{"id":"https://openalex.org/C69523127","wikidata":"https://www.wikidata.org/wiki/Q4480008","display_name":"Ground state","level":2,"score":0.520112156867981},{"id":"https://openalex.org/C86025842","wikidata":"https://www.wikidata.org/wiki/Q5358432","display_name":"Electronic structure","level":2,"score":0.4650401175022125},{"id":"https://openalex.org/C155281189","wikidata":"https://www.wikidata.org/wiki/Q3518150","display_name":"Tensor (intrinsic definition)","level":2,"score":0.45990583300590515},{"id":"https://openalex.org/C32891209","wikidata":"https://www.wikidata.org/wiki/Q483666","display_name":"Spectroscopy","level":2,"score":0.44891342520713806},{"id":"https://openalex.org/C8010536","wikidata":"https://www.wikidata.org/wiki/Q160398","display_name":"Crystallography","level":1,"score":0.43556714057922363},{"id":"https://openalex.org/C197162081","wikidata":"https://www.wikidata.org/wiki/Q3294789","display_name":"Magnetism","level":2,"score":0.429842084646225},{"id":"https://openalex.org/C187961010","wikidata":"https://www.wikidata.org/wiki/Q260463","display_name":"Electron paramagnetic resonance","level":2,"score":0.4288025498390198},{"id":"https://openalex.org/C26873012","wikidata":"https://www.wikidata.org/wiki/Q214781","display_name":"Condensed matter physics","level":1,"score":0.3385254442691803},{"id":"https://openalex.org/C192562407","wikidata":"https://www.wikidata.org/wiki/Q228736","display_name":"Materials science","level":0,"score":0.3366040289402008},{"id":"https://openalex.org/C41999313","wikidata":"https://www.wikidata.org/wiki/Q489328","display_name":"Molecular physics","level":1,"score":0.33649200201034546},{"id":"https://openalex.org/C46141821","wikidata":"https://www.wikidata.org/wiki/Q209402","display_name":"Nuclear magnetic resonance","level":1,"score":0.29982662200927734},{"id":"https://openalex.org/C184779094","wikidata":"https://www.wikidata.org/wiki/Q26383","display_name":"Atomic physics","level":1,"score":0.2975337505340576},{"id":"https://openalex.org/C121332964","wikidata":"https://www.wikidata.org/wiki/Q413","display_name":"Physics","level":0,"score":0.27275770902633667},{"id":"https://openalex.org/C147597530","wikidata":"https://www.wikidata.org/wiki/Q369472","display_name":"Computational chemistry","level":1,"score":0.22880879044532776},{"id":"https://openalex.org/C33923547","wikidata":"https://www.wikidata.org/wiki/Q395","display_name":"Mathematics","level":0,"score":0.10948464274406433},{"id":"https://openalex.org/C62520636","wikidata":"https://www.wikidata.org/wiki/Q944","display_name":"Quantum mechanics","level":1,"score":0.09411779046058655},{"id":"https://openalex.org/C2524010","wikidata":"https://www.wikidata.org/wiki/Q8087","display_name":"Geometry","level":1,"score":0.07274278998374939},{"id":"https://openalex.org/C55493867","wikidata":"https://www.wikidata.org/wiki/Q7094","display_name":"Biochemistry","level":1,"score":0.0},{"id":"https://openalex.org/C161790260","wikidata":"https://www.wikidata.org/wiki/Q82264","display_name":"Catalysis","level":2,"score":0.0}],"mesh":[],"locations_count":1,"locations":[{"id":"doi:10.1080/10587259608033683","doi":"https://doi.org/10.1080/10587259608033683","is_oa":false,"landing_page_url":"https://doi.org/10.1080/10587259608033683","pdf_url":null,"source":{"id":"https://openalex.org/S4210222374","display_name":"Molecular crystals and liquid crystals science technology. Section A, Molecular crystals and liquid crystals/Molecular crystals and liquid crystals science and technology. Section A, Molecular crystals and liquid crystals","issn_l":"1026-5422","issn":["1026-5422","1058-725X"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["cwts-core"],"host_organization":null,"host_organization_name":null,"host_organization_lineage":[],"host_organization_lineage_names":[],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Molecular Crystals and Liquid Crystals Science and Technology. Section A. Molecular Crystals and Liquid Crystals","raw_type":"journal-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":12,"referenced_works":["https://openalex.org/W2013938968","https://openalex.org/W2025389227","https://openalex.org/W2042255949","https://openalex.org/W2054073718","https://openalex.org/W2055596030","https://openalex.org/W2073837928","https://openalex.org/W2078486197","https://openalex.org/W2081840741","https://openalex.org/W2092377012","https://openalex.org/W2319586539","https://openalex.org/W2951858086","https://openalex.org/W2952804017"],"related_works":["https://openalex.org/W1974500032","https://openalex.org/W2078486197","https://openalex.org/W2009596783","https://openalex.org/W2083414015","https://openalex.org/W2086352213","https://openalex.org/W1959844210","https://openalex.org/W4238732783","https://openalex.org/W7015376544","https://openalex.org/W2077311027","https://openalex.org/W2088120010"],"abstract_inverted_index":{"A":[0],"quintet":[1,68,97],"ground-state":[2],"bisnitrene,":[3],"1,3-dinitreno-5-nitrobenzene,":[4],"was":[5,37],"studied":[6],"by":[7],"randomly":[8],"oriented":[9],"ESR":[10,32,106],"spectroscopy":[11],"as":[12],"part":[13],"of":[14,34,72,76,80],"our":[15,63],"project":[16],"to":[17],"study":[18],"purely":[19],"organic":[20],"magnetism":[21],"and":[22,46,56,94],"supramolecular":[23],"functionality":[24],"expected":[25],"for":[26,66,96],"high":[27],"spin":[28],"systems.":[29],"An":[30],"observed":[31,104],"spectrum":[33],"the":[35,67,73,77,89,102],"bisnitrene":[36],"interpreted":[38],"using":[39],"S=2,":[40],"g=2.003,":[41],"|D|":[42],"=":[43,48],"0.224":[44],"cm\u22121,":[45],"|E|":[47],"0.038":[49],"cm\u22121.":[50],"The":[51],"determined":[52],"fine-structure":[53,74,91,105],"parameter":[54],"D":[55,93],"E":[57,95],"values":[58],"are":[59],"in":[60,70],"accord":[61],"with":[62],"semiempirical":[64],"treatment":[65],"state":[69,79],"terms":[71],"tensor":[75],"triplet":[78],"p-nitrophenylnitrene.":[81],"In":[82],"this":[83],"work,":[84],"we":[85],"emphasize":[86],"that":[87],"all":[88],"documented":[90],"parameters":[92],"bisnitrenes":[98],"do":[99],"not":[100],"reproduce":[101],"corresponding":[103],"spectra":[107],"from":[108],"random":[109],"orientation.":[110]},"counts_by_year":[{"year":2020,"cited_by_count":2},{"year":2013,"cited_by_count":2},{"year":2012,"cited_by_count":5}],"updated_date":"2026-09-22T06:50:58.402377","created_date":"2016-06-24T00:00:00"}