{"id":"https://openalex.org/W7207629456","doi":"https://doi.org/10.26434/chemrxiv.15008233/v1","title":"Uncovering a Hydrogen-Bond-Enabled Pathway to Dinitrosyl Iron Complexes","display_name":"Uncovering a Hydrogen-Bond-Enabled Pathway to Dinitrosyl Iron Complexes","publication_year":2026,"publication_date":"2026-09-03","ids":{"openalex":"https://openalex.org/W7207629456","doi":"https://doi.org/10.26434/chemrxiv.15008233/v1"},"language":"en","primary_location":{"id":"doi:10.26434/chemrxiv.15008233/v1","doi":"https://doi.org/10.26434/chemrxiv.15008233/v1","is_oa":true,"landing_page_url":"https://doi.org/10.26434/chemrxiv.15008233/v1","pdf_url":"https://chemrxiv.org/doi/pdf/10.26434/chemrxiv.15008233/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.15008233/v1","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5117395173","display_name":"Matthias Jux","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I39343248","display_name":"Humboldt-Universit\u00e4t zu Berlin","ror":"https://ror.org/01hcx6992","country_code":"DE","type":"education","lineage":["https://openalex.org/I39343248"]}],"countries":["DE"],"is_corresponding":false,"raw_author_name":"Matthias Jux","raw_affiliation_strings":["Department of Chemistry Humboldt-Universit\u00e4t zu Berlin Brook-Taylor-Str. 2 , 12489 Berlin , Germany"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Chemistry Humboldt-Universit\u00e4t zu Berlin Brook-Taylor-Str. 2 , 12489 Berlin , Germany","institution_ids":["https://openalex.org/I39343248"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5005234825","display_name":"Maximilian Sch\u00fctze","orcid":"https://orcid.org/0000-0002-4053-2525","observed_orcids":["https://orcid.org/0000-0002-4053-2525"]},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Maximilian Sch\u00fctze","raw_affiliation_strings":[],"raw_orcid":null,"affiliations":[]},{"author_position":"middle","author":{"id":"https://openalex.org/A5149558136","display_name":"Munir Mardini","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I39343248","display_name":"Humboldt-Universit\u00e4t zu Berlin","ror":"https://ror.org/01hcx6992","country_code":"DE","type":"education","lineage":["https://openalex.org/I39343248"]}],"countries":["DE"],"is_corresponding":false,"raw_author_name":"Munir Mardini","raw_affiliation_strings":["Department of Chemistry Humboldt-Universit\u00e4t zu Berlin Brook-Taylor-Str. 2 , 12489 Berlin , Germany"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Chemistry Humboldt-Universit\u00e4t zu Berlin Brook-Taylor-Str. 2 , 12489 Berlin , Germany","institution_ids":["https://openalex.org/I39343248"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5149443089","display_name":"Konstantin Krause","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I39343248","display_name":"Humboldt-Universit\u00e4t zu Berlin","ror":"https://ror.org/01hcx6992","country_code":"DE","type":"education","lineage":["https://openalex.org/I39343248"]}],"countries":["DE"],"is_corresponding":false,"raw_author_name":"Konstantin Krause","raw_affiliation_strings":["Department of Chemistry Humboldt-Universit\u00e4t zu Berlin Brook-Taylor-Str. 2 , 12489 Berlin , Germany"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Chemistry Humboldt-Universit\u00e4t zu Berlin Brook-Taylor-Str. 2 , 12489 Berlin , Germany","institution_ids":["https://openalex.org/I39343248"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5008932544","display_name":"Michael Haumann","orcid":"https://orcid.org/0000-0001-7008-1764","observed_orcids":["https://orcid.org/0000-0001-7008-1764"]},"institutions":[{"id":"https://openalex.org/I39343248","display_name":"Humboldt-Universit\u00e4t zu Berlin","ror":"https://ror.org/01hcx6992","country_code":"DE","type":"education","lineage":["https://openalex.org/I39343248"]}],"countries":["DE"],"is_corresponding":false,"raw_author_name":"Michael Haumann","raw_affiliation_strings":["Department of Chemistry Humboldt-Universit\u00e4t zu Berlin Brook-Taylor-Str. 2 , 12489 Berlin , Germany"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Chemistry Humboldt-Universit\u00e4t zu Berlin Brook-Taylor-Str. 2 , 12489 Berlin , Germany","institution_ids":["https://openalex.org/I39343248"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5149864898","display_name":"Yong Wang","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I39343248","display_name":"Humboldt-Universit\u00e4t zu Berlin","ror":"https://ror.org/01hcx6992","country_code":"DE","type":"education","lineage":["https://openalex.org/I39343248"]}],"countries":["DE"],"is_corresponding":false,"raw_author_name":"Yong Wang","raw_affiliation_strings":["Department of Chemistry Humboldt-Universit\u00e4t zu Berlin Brook-Taylor-Str. 2 , 12489 Berlin , Germany"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Chemistry Humboldt-Universit\u00e4t zu Berlin Brook-Taylor-Str. 2 , 12489 Berlin , Germany","institution_ids":["https://openalex.org/I39343248"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5081835575","display_name":"Kallol Ray","orcid":"https://orcid.org/0000-0003-2074-8844","observed_orcids":["https://orcid.org/0000-0003-2074-8844"]},"institutions":[{"id":"https://openalex.org/I39343248","display_name":"Humboldt-Universit\u00e4t zu Berlin","ror":"https://ror.org/01hcx6992","country_code":"DE","type":"education","lineage":["https://openalex.org/I39343248"]}],"countries":["DE"],"is_corresponding":false,"raw_author_name":"Kallol Ray","raw_affiliation_strings":["Department of Chemistry Humboldt-Universit\u00e4t zu Berlin Brook-Taylor-Str. 2 , 12489 Berlin , Germany"],"raw_orcid":"https://orcid.org/0000-0003-2074-8844","affiliations":[{"raw_affiliation_string":"Department of Chemistry Humboldt-Universit\u00e4t zu Berlin Brook-Taylor-Str. 2 , 12489 Berlin , Germany","institution_ids":["https://openalex.org/I39343248"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":1,"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/T11747","display_name":"Metal-Catalyzed Oxygenation Mechanisms","score":0.7714999914169312,"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"}},"topics":[{"id":"https://openalex.org/T11747","display_name":"Metal-Catalyzed Oxygenation Mechanisms","score":0.7714999914169312,"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"}},{"id":"https://openalex.org/T11626","display_name":"Metalloenzymes and iron-sulfur proteins","score":0.03370000049471855,"subfield":{"id":"https://openalex.org/subfields/1303","display_name":"Biochemistry"},"field":{"id":"https://openalex.org/fields/13","display_name":"Biochemistry, Genetics and Molecular Biology"},"domain":{"id":"https://openalex.org/domains/1","display_name":"Life Sciences"}},{"id":"https://openalex.org/T12094","display_name":"Hemoglobin structure and function","score":0.03180000185966492,"subfield":{"id":"https://openalex.org/subfields/1303","display_name":"Biochemistry"},"field":{"id":"https://openalex.org/fields/13","display_name":"Biochemistry, Genetics and Molecular Biology"},"domain":{"id":"https://openalex.org/domains/1","display_name":"Life Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/dinitrosyl-iron-complexes","display_name":"dinitrosyl iron complexes","score":0.9990000128746033},{"id":"https://openalex.org/keywords/non-heme-iron","display_name":"non-heme iron","score":0.8240000009536743},{"id":"https://openalex.org/keywords/nitric-oxide","display_name":"nitric oxide","score":0.6449999809265137},{"id":"https://openalex.org/keywords/steric-accessibility","display_name":"steric accessibility","score":0.6069999933242798},{"id":"https://openalex.org/keywords/no-disproportionation","display_name":"NO disproportionation","score":0.6169999837875366},{"id":"https://openalex.org/keywords/nitrous-oxide-production","display_name":"nitrous oxide production","score":0.8270000219345093},{"id":"https://openalex.org/keywords/iron-nitrosyl-complexes","display_name":"iron nitrosyl complexes","score":0.6110000014305115},{"id":"https://openalex.org/keywords/reaction-mechanism","display_name":"reaction mechanism","score":0.3970000147819519}],"concepts":[{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.8137999773025513},{"id":"https://openalex.org/C201194858","wikidata":"https://www.wikidata.org/wiki/Q898238","display_name":"Steric effects","level":2,"score":0.7993000149726868},{"id":"https://openalex.org/C17365422","wikidata":"https://www.wikidata.org/wiki/Q664231","display_name":"Disproportionation","level":3,"score":0.7943999767303467},{"id":"https://openalex.org/C2775832776","wikidata":"https://www.wikidata.org/wiki/Q65122087","display_name":"Ferrous","level":2,"score":0.5267999768257141},{"id":"https://openalex.org/C55904794","wikidata":"https://www.wikidata.org/wiki/Q82682","display_name":"Redox","level":2,"score":0.4334999918937683},{"id":"https://openalex.org/C112887158","wikidata":"https://www.wikidata.org/wiki/Q169324","display_name":"Hydrogen bond","level":3,"score":0.4230000078678131},{"id":"https://openalex.org/C192937433","wikidata":"https://www.wikidata.org/wiki/Q2134627","display_name":"Reactive intermediate","level":3,"score":0.40630000829696655},{"id":"https://openalex.org/C2778591166","wikidata":"https://www.wikidata.org/wiki/Q484152","display_name":"Oxidation state","level":3,"score":0.3619000017642975},{"id":"https://openalex.org/C512968161","wikidata":"https://www.wikidata.org/wiki/Q556","display_name":"Hydrogen","level":2,"score":0.35839998722076416},{"id":"https://openalex.org/C71240020","wikidata":"https://www.wikidata.org/wiki/Q186011","display_name":"Stereochemistry","level":1,"score":0.34700000286102295},{"id":"https://openalex.org/C75473681","wikidata":"https://www.wikidata.org/wiki/Q188651","display_name":"Photochemistry","level":1,"score":0.33820000290870667},{"id":"https://openalex.org/C131934819","wikidata":"https://www.wikidata.org/wiki/Q135390","display_name":"Biogenesis","level":3,"score":0.3240000009536743},{"id":"https://openalex.org/C144082473","wikidata":"https://www.wikidata.org/wiki/Q213185","display_name":"Stoichiometry","level":2,"score":0.3239000141620636},{"id":"https://openalex.org/C2780841128","wikidata":"https://www.wikidata.org/wiki/Q5073781","display_name":"Characterization (materials science)","level":2,"score":0.3046000003814697},{"id":"https://openalex.org/C32891209","wikidata":"https://www.wikidata.org/wiki/Q483666","display_name":"Spectroscopy","level":2,"score":0.30219998955726624},{"id":"https://openalex.org/C147597530","wikidata":"https://www.wikidata.org/wiki/Q369472","display_name":"Computational chemistry","level":1,"score":0.3019999861717224},{"id":"https://openalex.org/C119824511","wikidata":"https://www.wikidata.org/wiki/Q13553575","display_name":"Absorption spectroscopy","level":2,"score":0.2953000068664551},{"id":"https://openalex.org/C69523127","wikidata":"https://www.wikidata.org/wiki/Q4480008","display_name":"Ground state","level":2,"score":0.2897000014781952},{"id":"https://openalex.org/C152365726","wikidata":"https://www.wikidata.org/wiki/Q1048589","display_name":"Density functional theory","level":2,"score":0.28940001130104065},{"id":"https://openalex.org/C2776217839","wikidata":"https://www.wikidata.org/wiki/Q189621","display_name":"Heme","level":3,"score":0.27379998564720154},{"id":"https://openalex.org/C65024703","wikidata":"https://www.wikidata.org/wiki/Q373406","display_name":"Reaction mechanism","level":3,"score":0.2517000138759613}],"mesh":[],"locations_count":1,"locations":[{"id":"doi:10.26434/chemrxiv.15008233/v1","doi":"https://doi.org/10.26434/chemrxiv.15008233/v1","is_oa":true,"landing_page_url":"https://doi.org/10.26434/chemrxiv.15008233/v1","pdf_url":"https://chemrxiv.org/doi/pdf/10.26434/chemrxiv.15008233/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.15008233/v1","doi":"https://doi.org/10.26434/chemrxiv.15008233/v1","is_oa":true,"landing_page_url":"https://doi.org/10.26434/chemrxiv.15008233/v1","pdf_url":"https://chemrxiv.org/doi/pdf/10.26434/chemrxiv.15008233/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":[],"funders":[],"has_content":{"grobid_xml":true,"pdf":true},"content_urls":{"pdf":"https://content.openalex.org/works/W7207629456.pdf","grobid_xml":"https://content.openalex.org/works/W7207629456.grobid-xml"},"referenced_works_count":0,"referenced_works":[],"related_works":["https://openalex.org/W4407741450","https://openalex.org/W2394507441","https://openalex.org/W2907400615","https://openalex.org/W3163378436","https://openalex.org/W2004415134","https://openalex.org/W3161094569","https://openalex.org/W4214746765","https://openalex.org/W2246330332","https://openalex.org/W4417325862","https://openalex.org/W3162080845"],"abstract_inverted_index":{"Dinitrosyl":[0],"iron":[1,7,18,198],"complexes":[2],"(DNICs)":[3],"are":[4],"prevalent":[5],"NO-derived":[6],"species;":[8],"yet":[9],"the":[10,36,67,119,123,129,144,160],"factors":[11],"that":[12,26],"govern":[13],"their":[14],"formation":[15,41,168,194],"at":[16,195],"non-heme":[17,197],"centers":[19],"remain":[20],"poorly":[21],"understood.":[22],"Here,":[23],"we":[24],"show":[25],"secondary-sphere":[27,175],"hydrogen":[28,176],"bonding":[29,177],"interaction,":[30],"together":[31],"with":[32,60,139,166],"steric":[33],"accessibility":[34],"of":[35,42,55,122,169,182],"Fe":[37],"center":[38],"enables":[39],"quantitative":[40,192],"a":[43,48,95,102,111,115,153,179,187,196],"{Fe(NO)2}9":[44,97],"(1-DNIC)":[45,65],"complex":[46,148],"through":[47],"previously":[49,124],"unrecognized":[50],"NO-driven":[51,189],"redox":[52],"pathway.":[53],"Reaction":[54],"[Fe(DIG2dien)]2+":[56],"(DIG2dien":[57],"=":[58,90,136],"N-methyl-bis[2-(N,N\u2032-diisopropylguanidino)ethyl]amine)":[59],"NO":[61,107,140,158],"gas":[62,141],"affords":[63],"[Fe(DIG2dien)(NO)2]+":[64],"as":[66,109,178],"sole":[68],"detectable":[69],"iron-containing":[70],"product.":[71],"Spectroscopic":[72],"and":[73,84,94,114,185],"computational":[74],"characterization":[75],"by":[76],"M\u00f6ssbauer,":[77],"EPR,":[78],"SQUID,":[79],"IR,":[80],"X-ray":[81],"absorption":[82],"spectroscopy":[83],"DFT":[85],"calculation":[86],"establish":[87,174],"an":[88],"S":[89],"1/2":[91],"ground":[92],"state":[93],"hydrogen-bond-supported":[96],"unit.":[98],"Mechanistic":[99],"studies":[100],"support":[101],"self-sustaining":[103],"pathway":[104],"in":[105],"which":[106],"functions":[108],"both":[110],"nitrosylating":[112],"agent":[113],"reductant,":[116],"thereby":[117],"circumventing":[118],"stoichiometric":[120],"constraints":[121],"reported":[125],"disproportionation":[126],"mechanisms.":[127],"Notably,":[128],"sterically":[130],"hindered":[131],"analogue":[132],"[Fe(DIG3tren)]2+":[133],"(2,":[134],"DIG3tren":[135],"tris(N\u2019,N\u201d-diisopropylguanidinyl-2-ethyl)amine)":[137],"reacts":[138],"to":[142,159],"form":[143],"linear,":[145],"hydrogen-bonded":[146],"{FeNO}7":[147],"[Fe(DIG3tren)(NO)]2+":[149],"(2-NO)":[150],"rather":[151],"than":[152],"DNIC.":[154],"Furthermore,":[155],"1-DNIC":[156],"transfers":[157],"ferrous":[161],"precursor":[162],"2,":[163],"generating":[164],"2-NO":[165],"concomitant":[167],"trace":[170],"N2O.":[171],"These":[172],"findings":[173],"key":[180],"determinant":[181],"DNIC":[183,193],"assembly":[184],"reveal":[186],"hydrogen-bond-mediated,":[188],"mechanism":[190],"for":[191],"center.":[199]},"counts_by_year":[],"updated_date":"2026-11-09T13:22:03.289127","created_date":"2026-09-04T00:00:00"}