{"id":"https://openalex.org/W7220926405","doi":"https://doi.org/10.26434/chemrxiv.15010063/v1","title":"Stepwise reduction of a porphyrin nanowire: minimal structural reorganization up to the open-shell tetraanion","display_name":"Stepwise reduction of a porphyrin nanowire: minimal structural reorganization up to the open-shell tetraanion","publication_year":2026,"publication_date":"2026-10-07","ids":{"openalex":"https://openalex.org/W7220926405","doi":"https://doi.org/10.26434/chemrxiv.15010063/v1"},"language":"en","primary_location":{"id":"doi:10.26434/chemrxiv.15010063/v1","doi":"https://doi.org/10.26434/chemrxiv.15010063/v1","is_oa":true,"landing_page_url":"https://doi.org/10.26434/chemrxiv.15010063/v1","pdf_url":"https://chemrxiv.org/doi/pdf/10.26434/chemrxiv.15010063/v1","source":{"id":"https://openalex.org/S4393918830","display_name":"ChemRxiv","issn_l":"2573-2293","issn":["2573-2293"],"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":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":null,"raw_type":"posted-content"},"volume":null,"type":"preprint","is_traditional":true,"indexed_in":["crossref"],"open_access":{"is_oa":true,"oa_status":"green","oa_url":"https://chemrxiv.org/doi/pdf/10.26434/chemrxiv.15010063/v1","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5014211878","display_name":"Wojciech Stawski","orcid":"https://orcid.org/0000-0003-3799-0485","observed_orcids":["https://orcid.org/0000-0003-3799-0485"]},"institutions":[{"id":"https://openalex.org/I1327163397","display_name":"State University of New York","ror":"https://ror.org/01q1z8k08","country_code":"US","type":"education","lineage":["https://openalex.org/I1327163397"]},{"id":"https://openalex.org/I196349391","display_name":"Universit\u00e4t Ulm","ror":"https://ror.org/032000t02","country_code":"DE","type":"education","lineage":["https://openalex.org/I196349391"]},{"id":"https://openalex.org/I40120149","display_name":"University of Oxford","ror":"https://ror.org/052gg0110","country_code":"GB","type":"education","lineage":["https://openalex.org/I40120149"]}],"countries":["DE","GB","US"],"is_corresponding":false,"raw_author_name":"Wojciech Stawski","raw_affiliation_strings":["Department of Chemistry","Institute of Organic Chemistry II and Advanced Materials","State University of New York","Ulm University","University of Oxford"],"raw_orcid":"https://orcid.org/0000-0003-3799-0485","affiliations":[{"raw_affiliation_string":"Department of Chemistry","institution_ids":[]},{"raw_affiliation_string":"Institute of Organic Chemistry II and Advanced Materials","institution_ids":[]},{"raw_affiliation_string":"State University of New York","institution_ids":["https://openalex.org/I1327163397"]},{"raw_affiliation_string":"Ulm University","institution_ids":["https://openalex.org/I196349391"]},{"raw_affiliation_string":"University of Oxford","institution_ids":["https://openalex.org/I40120149"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5105268632","display_name":"Yikun Zhu","orcid":"https://orcid.org/0009-0006-6980-7947","observed_orcids":["https://orcid.org/0009-0006-6980-7947"]},"institutions":[{"id":"https://openalex.org/I1327163397","display_name":"State University of New York","ror":"https://ror.org/01q1z8k08","country_code":"US","type":"education","lineage":["https://openalex.org/I1327163397"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Yikun Zhu","raw_affiliation_strings":["Department of Chemistry","State University of New York"],"raw_orcid":"https://orcid.org/0009-0006-6980-7947","affiliations":[{"raw_affiliation_string":"Department of Chemistry","institution_ids":[]},{"raw_affiliation_string":"State University of New York","institution_ids":["https://openalex.org/I1327163397"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5061468896","display_name":"Dariusz W. Szczepanik","orcid":"https://orcid.org/0000-0002-2013-0617","observed_orcids":["https://orcid.org/0000-0002-2013-0617","https://orcid.org/0000-0002-0615-732X"]},"institutions":[{"id":"https://openalex.org/I126596746","display_name":"Jagiellonian University","ror":"https://ror.org/03bqmcz70","country_code":"PL","type":"education","lineage":["https://openalex.org/I126596746"]}],"countries":["PL"],"is_corresponding":false,"raw_author_name":"Dariusz W. Szczepanik","raw_affiliation_strings":["K. Gumi\u0144ski Department of Theoretical Chemistry, Faculty of Chemistry, Jagiellonian University, 30-387, Krak\u00f3w, Poland"],"raw_orcid":"https://orcid.org/0000-0002-2013-0617","affiliations":[{"raw_affiliation_string":"K. Gumi\u0144ski Department of Theoretical Chemistry, Faculty of Chemistry, Jagiellonian University, 30-387, Krak\u00f3w, Poland","institution_ids":["https://openalex.org/I126596746"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5100769168","display_name":"Zheng Wei","orcid":"https://orcid.org/0000-0003-4782-021X","observed_orcids":["https://orcid.org/0000-0003-4782-021X"]},"institutions":[{"id":"https://openalex.org/I1327163397","display_name":"State University of New York","ror":"https://ror.org/01q1z8k08","country_code":"US","type":"education","lineage":["https://openalex.org/I1327163397"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Zheng Wei","raw_affiliation_strings":["Department of Chemistry","State University of New York"],"raw_orcid":"https://orcid.org/0000-0003-4782-021X","affiliations":[{"raw_affiliation_string":"Department of Chemistry","institution_ids":[]},{"raw_affiliation_string":"State University of New York","institution_ids":["https://openalex.org/I1327163397"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5057543252","display_name":"Marina A. Petrukhina","orcid":"https://orcid.org/0000-0003-0221-7900","observed_orcids":["https://orcid.org/0000-0003-0221-7900"]},"institutions":[{"id":"https://openalex.org/I1327163397","display_name":"State University of New York","ror":"https://ror.org/01q1z8k08","country_code":"US","type":"education","lineage":["https://openalex.org/I1327163397"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Marina A. Petrukhina","raw_affiliation_strings":["Department of Chemistry","State University of New York"],"raw_orcid":"https://orcid.org/0000-0003-0221-7900","affiliations":[{"raw_affiliation_string":"Department of Chemistry","institution_ids":[]},{"raw_affiliation_string":"State University of New York","institution_ids":["https://openalex.org/I1327163397"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5062945473","display_name":"Harry L. Anderson","orcid":"https://orcid.org/0000-0002-1801-8132","observed_orcids":["https://orcid.org/0000-0002-1801-8132"]},"institutions":[{"id":"https://openalex.org/I40120149","display_name":"University of Oxford","ror":"https://ror.org/052gg0110","country_code":"GB","type":"education","lineage":["https://openalex.org/I40120149"]}],"countries":["GB"],"is_corresponding":false,"raw_author_name":"Harry L. Anderson","raw_affiliation_strings":["Department of Chemistry","University of Oxford"],"raw_orcid":"https://orcid.org/0000-0002-1801-8132","affiliations":[{"raw_affiliation_string":"Department of Chemistry","institution_ids":[]},{"raw_affiliation_string":"University of Oxford","institution_ids":["https://openalex.org/I40120149"]}]}],"institutions":[],"countries_distinct_count":4,"institutions_distinct_count":4,"corresponding_author_ids":[],"corresponding_institution_ids":[],"apc_list":null,"apc_paid":null,"fwci":null,"has_fulltext":true,"cited_by_count":0,"citation_normalized_percentile":null,"cited_by_percentile_year":null,"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/T10903","display_name":"Porphyrin and Phthalocyanine Chemistry","score":0.9678000211715698,"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/T10903","display_name":"Porphyrin and Phthalocyanine Chemistry","score":0.9678000211715698,"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/T11298","display_name":"Synthesis and Properties of Aromatic Compounds","score":0.021299999207258224,"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/T10807","display_name":"Synthesis and characterization of novel inorganic/organometallic compounds","score":0.0019000000320374966,"subfield":{"id":"https://openalex.org/subfields/1604","display_name":"Inorganic 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/porphyrin-oligomers","display_name":"porphyrin oligomers","score":0.8600000143051147},{"id":"https://openalex.org/keywords/molecular-wires","display_name":"molecular wires","score":0.8109999895095825},{"id":"https://openalex.org/keywords/alkali-metal-reduction","display_name":"alkali metal reduction","score":0.7960000038146973},{"id":"https://openalex.org/keywords/pi-electron-delocalization","display_name":"\u03c0-electron delocalization","score":0.8190000057220459},{"id":"https://openalex.org/keywords/single-molecule-conductance","display_name":"molecular conductance","score":0.7120000123977661},{"id":"https://openalex.org/keywords/charge-discharge-cycles","display_name":"charge-discharge cycling","score":0.4480000138282776}],"concepts":[{"id":"https://openalex.org/C2779480358","wikidata":"https://www.wikidata.org/wiki/Q422926","display_name":"Porphyrin","level":2,"score":0.8381999731063843},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.7465000152587891},{"id":"https://openalex.org/C117633835","wikidata":"https://www.wikidata.org/wiki/Q5280165","display_name":"Diradical","level":4,"score":0.7070000171661377},{"id":"https://openalex.org/C75473681","wikidata":"https://www.wikidata.org/wiki/Q188651","display_name":"Photochemistry","level":1,"score":0.6263999938964844},{"id":"https://openalex.org/C2779546866","wikidata":"https://www.wikidata.org/wiki/Q531306","display_name":"Dimer","level":2,"score":0.61080002784729},{"id":"https://openalex.org/C33062035","wikidata":"https://www.wikidata.org/wiki/Q3296863","display_name":"Singlet state","level":3,"score":0.5131000280380249},{"id":"https://openalex.org/C70050531","wikidata":"https://www.wikidata.org/wiki/Q899089","display_name":"Delocalized electron","level":2,"score":0.4316999912261963},{"id":"https://openalex.org/C186927785","wikidata":"https://www.wikidata.org/wiki/Q374793","display_name":"Unpaired electron","level":3,"score":0.4230000078678131},{"id":"https://openalex.org/C187961010","wikidata":"https://www.wikidata.org/wiki/Q260463","display_name":"Electron paramagnetic resonance","level":2,"score":0.4219000041484833},{"id":"https://openalex.org/C32123652","wikidata":"https://www.wikidata.org/wiki/Q2451605","display_name":"Molecular switch","level":3,"score":0.4016000032424927},{"id":"https://openalex.org/C174920882","wikidata":"https://www.wikidata.org/wiki/Q15059785","display_name":"Molecular wire","level":3,"score":0.38449999690055847},{"id":"https://openalex.org/C2777237805","wikidata":"https://www.wikidata.org/wiki/Q211972","display_name":"Ferrocene","level":4,"score":0.38040000200271606},{"id":"https://openalex.org/C112613896","wikidata":"https://www.wikidata.org/wiki/Q898370","display_name":"Conjugated system","level":3,"score":0.35899999737739563},{"id":"https://openalex.org/C8010536","wikidata":"https://www.wikidata.org/wiki/Q160398","display_name":"Crystallography","level":1,"score":0.3411000072956085},{"id":"https://openalex.org/C116569031","wikidata":"https://www.wikidata.org/wiki/Q899107","display_name":"Ligand (biochemistry)","level":3,"score":0.3345000147819519},{"id":"https://openalex.org/C2780557392","wikidata":"https://www.wikidata.org/wiki/Q523796","display_name":"Linker","level":2,"score":0.31439998745918274},{"id":"https://openalex.org/C544153396","wikidata":"https://www.wikidata.org/wiki/Q11426","display_name":"Metal","level":2,"score":0.29750001430511475},{"id":"https://openalex.org/C2780642029","wikidata":"https://www.wikidata.org/wiki/Q726004","display_name":"Oligomer","level":2,"score":0.2913999855518341},{"id":"https://openalex.org/C32909587","wikidata":"https://www.wikidata.org/wiki/Q11369","display_name":"Molecule","level":2,"score":0.2824000120162964},{"id":"https://openalex.org/C69523127","wikidata":"https://www.wikidata.org/wiki/Q4480008","display_name":"Ground state","level":2,"score":0.274399995803833},{"id":"https://openalex.org/C535196362","wikidata":"https://www.wikidata.org/wiki/Q758","display_name":"Zinc","level":2,"score":0.2662000060081482},{"id":"https://openalex.org/C48424934","wikidata":"https://www.wikidata.org/wiki/Q898912","display_name":"Coupling reaction","level":3,"score":0.26089999079704285}],"mesh":[],"locations_count":1,"locations":[{"id":"doi:10.26434/chemrxiv.15010063/v1","doi":"https://doi.org/10.26434/chemrxiv.15010063/v1","is_oa":true,"landing_page_url":"https://doi.org/10.26434/chemrxiv.15010063/v1","pdf_url":"https://chemrxiv.org/doi/pdf/10.26434/chemrxiv.15010063/v1","source":{"id":"https://openalex.org/S4393918830","display_name":"ChemRxiv","issn_l":"2573-2293","issn":["2573-2293"],"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":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":null,"raw_type":"posted-content"}],"best_oa_location":{"id":"doi:10.26434/chemrxiv.15010063/v1","doi":"https://doi.org/10.26434/chemrxiv.15010063/v1","is_oa":true,"landing_page_url":"https://doi.org/10.26434/chemrxiv.15010063/v1","pdf_url":"https://chemrxiv.org/doi/pdf/10.26434/chemrxiv.15010063/v1","source":{"id":"https://openalex.org/S4393918830","display_name":"ChemRxiv","issn_l":"2573-2293","issn":["2573-2293"],"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":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":null,"raw_type":"posted-content"},"sustainable_development_goals":[],"study_designs":[],"awards":[{"id":"https://openalex.org/G1110023947","display_name":null,"funder_award_id":"INST40/575\u20101","funder_id":"https://openalex.org/F4320320879","funder_display_name":"Deutsche Forschungsgemeinschaft"},{"id":"https://openalex.org/G1137444062","display_name":"Contorted and Strained Molecular Nanographenes: Multi-Electron Storage and Reduction-Induced Transformations","funder_award_id":"2404031","funder_id":"https://openalex.org/F4320306076","funder_display_name":"National Science Foundation"},{"id":"https://openalex.org/G402306430","display_name":null,"funder_award_id":"INST 40/575\u20101 FUGG","funder_id":"https://openalex.org/F4320320879","funder_display_name":"Deutsche Forschungsgemeinschaft"},{"id":"https://openalex.org/G4897288654","display_name":null,"funder_award_id":"CHE-2404031","funder_id":"https://openalex.org/F4320337393","funder_display_name":"Division of Chemistry"},{"id":"https://openalex.org/G7021408316","display_name":null,"funder_award_id":"2021/42/E/ST4/00332","funder_id":"https://openalex.org/F4320322650","funder_display_name":"Narodowym Centrum Nauki"},{"id":"https://openalex.org/G717511693","display_name":null,"funder_award_id":"101208969","funder_id":"https://openalex.org/F4320320300","funder_display_name":"European Commission"},{"id":"https://openalex.org/G7206857471","display_name":null,"funder_award_id":"PLG/2025/018981","funder_id":"https://openalex.org/F4320337160","funder_display_name":"Academic Computer Centre Cyfronet, AGH University of Science and Technology"},{"id":"https://openalex.org/G8158523242","display_name":null,"funder_award_id":"885606","funder_id":"https://openalex.org/F4320320300","funder_display_name":"European Commission"},{"id":"https://openalex.org/G8373246409","display_name":null,"funder_award_id":"2404031","funder_id":"https://openalex.org/F4320337393","funder_display_name":"Division of Chemistry"}],"funders":[{"id":"https://openalex.org/F4320306076","display_name":"National Science Foundation","ror":"https://ror.org/021nxhr62"},{"id":"https://openalex.org/F4320320300","display_name":"European Commission","ror":"https://ror.org/00k4n6c32"},{"id":"https://openalex.org/F4320320879","display_name":"Deutsche Forschungsgemeinschaft","ror":"https://ror.org/018mejw64"},{"id":"https://openalex.org/F4320322650","display_name":"Narodowym Centrum Nauki","ror":"https://ror.org/03ha2q922"},{"id":"https://openalex.org/F4320325530","display_name":"Universit\u00e4t Ulm","ror":"https://ror.org/032000t02"},{"id":"https://openalex.org/F4320326815","display_name":"Infrastruktura PL-Grid","ror":"https://ror.org/01m3qaz74"},{"id":"https://openalex.org/F4320337160","display_name":"Academic Computer Centre Cyfronet, AGH University of Science and Technology","ror":"https://ror.org/0575jwx13"},{"id":"https://openalex.org/F4320337393","display_name":"Division of Chemistry","ror":"https://ror.org/01ar8dr59"},{"id":"https://openalex.org/F4320338281","display_name":"Army Research Office","ror":"https://ror.org/05epdh915"}],"has_content":{"grobid_xml":true,"pdf":true},"content_urls":{"pdf":"https://content.openalex.org/works/W7220926405.pdf","grobid_xml":"https://content.openalex.org/works/W7220926405.grobid-xml"},"referenced_works_count":1,"referenced_works":["https://openalex.org/W7164916553"],"related_works":["https://openalex.org/W7161640223","https://openalex.org/W2017051480","https://openalex.org/W2032634966","https://openalex.org/W2995733322","https://openalex.org/W4390012385","https://openalex.org/W1974201964","https://openalex.org/W2912792623","https://openalex.org/W2039468615","https://openalex.org/W2149605647","https://openalex.org/W2061185384"],"abstract_inverted_index":{"\u03c0-Conjugated":[0],"porphyrin":[1,40,106,199],"oligomers":[2],"serve":[3],"as":[4,16,42,69,84,146],"molecular":[5,33,90],"wires:":[6],"they":[7],"exhibit":[8],"high":[9],"single-molecule":[10],"conductance":[11],"and":[12,118,152,166,172,191],"excellent":[13],"cycling":[14],"kinetics":[15],"organic":[17],"active":[18],"electrode":[19],"materials.":[20],"These":[21],"applications":[22],"require":[23],"systems":[24],"in":[25,32,59,63,169],"which":[26],"charge/discharge":[27],"cycles":[28],"cause":[29],"minimal":[30],"changes":[31,58,75],"geometry.":[34],"Here,":[35],"we":[36],"use":[37],"a":[38,43,79,134],"butadiyne-linked":[39],"dimer":[41],"model":[44],"compound":[45],"to":[46,56,185],"show":[47],"that":[48,98],"its":[49],"chemical":[50],"reduction":[51,100],"with":[52,78,133,181],"alkali":[53],"metals":[54],"leads":[55,184],"subtle":[57],"the":[60,64,105,109,112,170,194],"bond":[61],"lengths":[62],"resulting":[65],"multiply":[66],"charged":[67],"anions,":[68],"revealed":[70],"crystallographically.":[71],"The":[72,120,157],"small":[73],"structural":[74],"are":[76],"consistent":[77],"low":[80],"inner-sphere":[81],"reorganization":[82],"energy,":[83],"expected":[85],"for":[86],"an":[87,127,197],"efficient":[88],"redox-active":[89],"wire.":[91],"\u03c0-Bond":[92],"Delocalization":[93],"Function":[94],"(\u03c0-BDF)":[95],"analysis":[96],"shows":[97],"successive":[99],"increases":[101],"\u03c0-electron":[102],"delocalization":[103],"within":[104],"cores,":[107],"while":[108],"involvement":[110],"of":[111,174,187,193],"butadiyne":[113],"linker":[114],"is":[115],"strongly":[116],"charge-":[117],"spin-state-dependent.":[119],"previously":[121],"unknown,":[122],"structurally":[123],"characterized":[124],"tetraanion":[125],"has":[126],"open-shell":[128,159],"singlet":[129],"diradical":[130],"ground":[131],"state":[132],"thermally":[135],"accessible":[136],"triplet":[137],"state,":[138],"separated":[139],"by":[140,149,154],"14.2":[141],"kJ":[142],"mol":[143],"\u22121":[144],",":[145],"established":[147],"experimentally":[148],"EPR":[150],"spectroscopy":[151],"supported":[153],"DFT":[155],"calculations.":[156],"two":[158,176],"states":[160],"retain":[161],"nearly":[162],"identical":[163],"covalent-delocalization":[164],"topologies":[165],"differ":[167],"primarily":[168],"organization":[171],"coupling":[173],"their":[175],"unpaired":[177],"electrons.":[178],"Prolonged":[179],"reaction":[180],"lithium":[182],"metal":[183],"demetallation":[186],"these":[188],"zinc":[189],"porphyrins":[190],"cleavage":[192],"butadiyne,":[195],"forming":[196],"acetylene-appended":[198],"monomer.":[200]},"counts_by_year":[],"updated_date":"2026-11-09T13:22:03.289127","created_date":"2026-10-09T00:00:00"}
