{"id":"https://openalex.org/W6889800720","doi":"https://doi.org/10.26083/tuprints-00027845","title":"Coordination of Al(C\u2086F\u2085)\u2083 vs. B(C\u2086F\u2085)\u2083 on group 6 end-on dinitrogen complexes: chemical and structural divergences","display_name":"Coordination of Al(C\u2086F\u2085)\u2083 vs. B(C\u2086F\u2085)\u2083 on group 6 end-on dinitrogen complexes: chemical and structural divergences","publication_year":2025,"publication_date":"2025-01-01","ids":{"openalex":"https://openalex.org/W6889800720","doi":"https://doi.org/10.26083/tuprints-00027845"},"language":"en","primary_location":{"id":"pmh:oai:tuprints.ulb.tu-darmstadt.de:27845","doi":null,"is_oa":true,"landing_page_url":"http://tuprints.ulb.tu-darmstadt.de/view/person/Escomel=3AL=E9on=3A=3A.html>","pdf_url":null,"source":{"id":"https://openalex.org/S4306401590","display_name":"Technischen Universit\u00e4t Darmstadt","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/I31512782","host_organization_name":"Technische Universit\u00e4t Darmstadt","host_organization_lineage":["https://openalex.org/I31512782"],"host_organization_lineage_names":[],"type":"repository"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"acceptedVersion","is_accepted":true,"is_published":false,"raw_source_name":null,"raw_type":"info:eu-repo/semantics/article"},"volume":null,"type":"article","indexed_in":["datacite"],"open_access":{"is_oa":true,"oa_status":"green","oa_url":"http://tuprints.ulb.tu-darmstadt.de/view/person/Escomel=3AL=E9on=3A=3A.html>","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5028147990","display_name":"L\u00e9on Escomel","orcid":"https://orcid.org/0000-0001-7744-1048","observed_orcids":["https://orcid.org/0000-0001-7744-1048"]},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Escomel, L\u00e9on","raw_affiliation_strings":[],"raw_orcid":null,"affiliations":[]},{"author_position":"middle","author":{"id":"https://openalex.org/A5045892526","display_name":"Frederico F. Martins","orcid":"https://orcid.org/0000-0003-1458-2526","observed_orcids":["https://orcid.org/0000-0003-1458-2526"]},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Martins, Frederico F.","raw_affiliation_strings":[],"raw_orcid":null,"affiliations":[]},{"author_position":"middle","author":{"id":"https://openalex.org/A5041959270","display_name":"Laure Vendier","orcid":"https://orcid.org/0000-0002-7111-9258","observed_orcids":["https://orcid.org/0000-0002-7111-9258"]},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Vendier, Laure","raw_affiliation_strings":[],"raw_orcid":null,"affiliations":[]},{"author_position":"middle","author":{"id":"https://openalex.org/A5085725615","display_name":"Ana\u00efs Coffinet","orcid":null,"observed_orcids":[]},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Coffinet, Ana\u00efs","raw_affiliation_strings":[],"raw_orcid":null,"affiliations":[]},{"author_position":"middle","author":{"id":"https://openalex.org/A5004275040","display_name":"Nicolas Queyriaux","orcid":"https://orcid.org/0000-0002-8525-280X","observed_orcids":["https://orcid.org/0000-0002-8525-280X"]},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Queyriaux, Nicolas","raw_affiliation_strings":[],"raw_orcid":null,"affiliations":[]},{"author_position":"middle","author":{"id":"https://openalex.org/A5060458863","display_name":"Vera Krewald","orcid":"https://orcid.org/0000-0002-4749-4357","observed_orcids":["https://orcid.org/0000-0002-4749-4357"]},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Krewald, Vera","raw_affiliation_strings":[],"raw_orcid":null,"affiliations":[]},{"author_position":"last","author":{"id":"https://openalex.org/A5090050558","display_name":"Antoine Simonneau","orcid":"https://orcid.org/0000-0003-4612-284X","observed_orcids":["https://orcid.org/0000-0003-4612-284X"]},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Simonneau, Antoine","raw_affiliation_strings":[],"raw_orcid":null,"affiliations":[]}],"institutions":[],"countries_distinct_count":0,"institutions_distinct_count":0,"corresponding_author_ids":[],"corresponding_institution_ids":[],"apc_list":null,"apc_paid":null,"fwci":0.0,"has_fulltext":false,"cited_by_count":0,"citation_normalized_percentile":{"value":0.22481305,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":null,"biblio":{"volume":null,"issue":null,"first_page":null,"last_page":null},"is_retracted":false,"is_paratext":false,"is_xpac":true,"primary_topic":{"id":"https://openalex.org/T10092","display_name":"Organometallic Complex Synthesis and Catalysis","score":0.6323000192642212,"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/T10092","display_name":"Organometallic Complex Synthesis and Catalysis","score":0.6323000192642212,"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":0.3149000108242035,"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/T11441","display_name":"Organoboron and organosilicon chemistry","score":0.03440000116825104,"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/tris-pentafluorophenyl-borane","display_name":"tris(pentafluorophenyl)borane","score":0.996999979019165},{"id":"https://openalex.org/keywords/lewis-superacids","display_name":"Lewis superacids","score":0.746999979019165},{"id":"https://openalex.org/keywords/phosphine-ligands","display_name":"phosphine ligands","score":0.6000000238418579},{"id":"https://openalex.org/keywords/lewis-acid-base-adducts","display_name":"Lewis acid-base adducts","score":0.8159999847412109},{"id":"https://openalex.org/keywords/cis-trans-isomerism","display_name":"cis-trans isomerism","score":0.7170000076293945},{"id":"https://openalex.org/keywords/homo-lumo-gap","display_name":"HOMO-LUMO gap","score":0.8140000104904175},{"id":"https://openalex.org/keywords/steric-repulsion","display_name":"steric repulsion","score":0.574999988079071}],"concepts":[{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.38449999690055847},{"id":"https://openalex.org/C71240020","wikidata":"https://www.wikidata.org/wiki/Q186011","display_name":"Stereochemistry","level":1,"score":0.23010000586509705},{"id":"https://openalex.org/C108204754","wikidata":"https://www.wikidata.org/wiki/Q353392","display_name":"Adduct","level":2,"score":0.22100000083446503},{"id":"https://openalex.org/C2776910235","wikidata":"https://www.wikidata.org/wiki/Q18574","display_name":"Reactivity (psychology)","level":3,"score":0.21459999680519104},{"id":"https://openalex.org/C2777699224","wikidata":"https://www.wikidata.org/wiki/Q638975","display_name":"Central core disease","level":5,"score":0.20569999516010284},{"id":"https://openalex.org/C188198153","wikidata":"https://www.wikidata.org/wiki/Q1613840","display_name":"Limiting","level":2,"score":0.1923999935388565},{"id":"https://openalex.org/C2779343474","wikidata":"https://www.wikidata.org/wiki/Q3109175","display_name":"Context (archaeology)","level":2,"score":0.1906999945640564},{"id":"https://openalex.org/C2908647359","wikidata":"https://www.wikidata.org/wiki/Q2625603","display_name":"Population","level":2,"score":0.1858000010251999},{"id":"https://openalex.org/C2781311116","wikidata":"https://www.wikidata.org/wiki/Q83306","display_name":"Group (periodic table)","level":2,"score":0.18479999899864197},{"id":"https://openalex.org/C2985970845","wikidata":"https://www.wikidata.org/wiki/Q68","display_name":"Digital computer","level":2,"score":0.17990000545978546}],"mesh":[],"locations_count":3,"locations":[{"id":"pmh:oai:tuprints.ulb.tu-darmstadt.de:27845","doi":null,"is_oa":true,"landing_page_url":"http://tuprints.ulb.tu-darmstadt.de/view/person/Escomel=3AL=E9on=3A=3A.html>","pdf_url":null,"source":{"id":"https://openalex.org/S4306401590","display_name":"Technischen Universit\u00e4t Darmstadt","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/I31512782","host_organization_name":"Technische Universit\u00e4t Darmstadt","host_organization_lineage":["https://openalex.org/I31512782"],"host_organization_lineage_names":[],"type":"repository"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"acceptedVersion","is_accepted":true,"is_published":false,"raw_source_name":null,"raw_type":"info:eu-repo/semantics/article"},{"id":"pmh:oai:tuprints.ulb.tu-darmstadt.de:tuda/12145","doi":null,"is_oa":false,"landing_page_url":"https://doi.org/10.26083/tuprints-00027845","pdf_url":null,"source":{"id":"https://openalex.org/S4306401590","display_name":"Technischen Universit\u00e4t Darmstadt","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/I31512782","host_organization_name":"Technische Universit\u00e4t Darmstadt","host_organization_lineage":["https://openalex.org/I31512782"],"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":"article"},{"id":"doi:10.26083/tuprints-00027845","doi":"https://doi.org/10.26083/tuprints-00027845","is_oa":true,"landing_page_url":"https://doi.org/10.26083/tuprints-00027845","pdf_url":null,"source":{"id":"https://openalex.org/S4306401590","display_name":"Technischen Universit\u00e4t Darmstadt","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/I31512782","host_organization_name":"Technische Universit\u00e4t Darmstadt","host_organization_lineage":["https://openalex.org/I31512782"],"host_organization_lineage_names":[],"type":"repository"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":null,"is_accepted":false,"is_published":null,"raw_source_name":null,"raw_type":"article-journal"}],"best_oa_location":{"id":"pmh:oai:tuprints.ulb.tu-darmstadt.de:27845","doi":null,"is_oa":true,"landing_page_url":"http://tuprints.ulb.tu-darmstadt.de/view/person/Escomel=3AL=E9on=3A=3A.html>","pdf_url":null,"source":{"id":"https://openalex.org/S4306401590","display_name":"Technischen Universit\u00e4t Darmstadt","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/I31512782","host_organization_name":"Technische Universit\u00e4t Darmstadt","host_organization_lineage":["https://openalex.org/I31512782"],"host_organization_lineage_names":[],"type":"repository"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"acceptedVersion","is_accepted":true,"is_published":false,"raw_source_name":null,"raw_type":"info:eu-repo/semantics/article"},"sustainable_development_goals":[],"sustainable_development_goals_aurora":[],"study_designs":[],"awards":[],"funders":[],"has_content":{"pdf":false,"grobid_xml":false},"content_urls":null,"referenced_works_count":0,"referenced_works":[],"related_works":[],"abstract_inverted_index":{"The":[0,58],"coordination":[1,49],"of":[2,54,70,97,107,116,170,199,231,243,261,291,334],"the":[3,95,105,114,118,130,167,189,193,200,207,219,229,232,257,262,288,302,308,332],"Lewis":[4,90,122,176,275],"superacid":[5],"tris(pentafluorophenyl)alane":[6],"(AlCF)":[7],"to":[8,38,50,192,223,300,311],"phosphine-supported,":[9],"group":[10],"6":[11],"bis(dinitrogen)":[12],"complexes":[13,173],"[ML\u2082(N\u2082)\u2082]":[14],"is":[15,77,203],"explored,":[16],"with":[17,129,239,295],"M":[18],"=":[19,26,89],"Cr,":[20],"Mo":[21],"or":[22,33],"W":[23],"and":[24,60,135,162,165,181,213],"L":[25],"dppe":[27],"(1,2-bis(diphenylphosphino)ethane),":[28],"depe":[29],"(1,2-bis(diethylphosphino)ethane),":[30],"dmpe":[31],"(1,2-bis(dimethylphosphino)ethane)":[32],"2":[34,119,144],"\u00d7":[35],"PMe\u2082Ph.":[36],"Akin":[37],"tris(pentafluorophenyl)borane":[39],"(BCF),":[40],"AlCF":[41,141],"can":[42],"form":[43],"1":[44,46,121,131,133,146,212,214],":":[45,120,132,145,211,215],"adducts":[47,62,109,147,209],"by":[48,175],"one":[51,230,242],"distal":[52],"nitrogen":[53,337],"general":[55],"formula":[56],"trans-[ML\u2082(N\u2082){(\u03bc-\u03b7\u00b9:\u03b7\u00b9-N\u2082)Al(C\u2086F\u2085)\u2083}].":[57],"boron":[59],"aluminium":[61,195],"are":[63,321],"structurally":[64,163],"similar,":[65],"showing":[66],"a":[67,78,152,225,236,240,251,266],"comparable":[68],"level":[69],"N\u2082":[71,245,258,282],"push\u2013pull":[72],"activation.":[73],"A":[74,100],"notable":[75],"exception":[76],"bent":[79],"(BCF":[80],"adducts)":[81,85],"vs.":[82],"linear":[83],"(AlCF":[84],"M\u2013N\u2013N\u2013LA":[86],"motif":[87],"(LA":[88],"acid),":[91],"explained":[92],"computationally":[93],"as":[94],"result":[96],"steric":[98],"repulsion.":[99],"striking":[101],"difference":[102],"arose":[103],"when":[104],"formation":[106],"two-fold":[108,194],"was":[110,221],"conducted.":[111],"While":[112],"in":[113,127,307],"case":[115],"BCF":[117],"pairs":[123],"could":[124,159,277,327],"be":[125,160,224,278],"observed":[126,322],"equilibrium":[128],"adduct":[134],"free":[136],"borane":[137],"but":[138],"resisted":[139],"isolation,":[140],"forms":[142],"robust":[143],"trans[ML\u2082(N\u2082){(\u03bc-\u03b7\u00b9:\u03b7\u00b9-N\u2082)Al(C\u2086F\u2085)\u2083}\u2082]":[148],"that":[149,187],"isomerise":[150],"into":[151,250],"more":[153,252],"stable":[154],"cis":[155],"configuration.":[156],"These":[157],"compounds":[158,234,292],"isolated":[161],"characterized,":[164],"represent":[166],"first":[168],"examples":[169],"trinuclear":[171],"heterometallic":[172],"formed":[174],"acid\u2013base":[177],"interaction":[178],"exhibiting":[179],"p":[180],"d":[182,227,237],"elements.":[183],"Calculations":[184],"also":[185],"demonstrate":[186],"from":[188],"bare":[190],"complex":[191],"adduct,":[196],"substantial":[197],"decrease":[198],"HOMO\u2013LUMO":[201],"gap":[202],"observed,":[204],"and,":[205],"unlike":[206],"trans":[208],"(1":[210],"2)":[216],"for":[217,280,287,331],"which":[218],"HOMO":[220],"computed":[222],"pure":[226],"orbital,":[228],"cis-trinuclear":[233],"mixes":[235],"orbital":[238],"\u03c0*":[241],"each":[244],"ligands.":[246],"This":[247],"may":[248],"translate":[249],"favourable":[253],"electrophilic":[254],"attack":[255],"on":[256],"ligands":[259],"instead":[260],"metal":[263],"centre,":[264],"while":[265],"stabilized":[267],"N\u2082-centered":[268,316],"LUMO":[269],"should":[270],"ease":[271],"electron":[272],"transfer,":[273],"suggesting":[274],"acids":[276],"co-activators":[279],"electro-catalysed":[281],"reduction.":[283],"Experimental":[284],"UV-vis":[285],"spectra":[286],"tungsten":[289],"family":[290],"were":[293],"compared":[294],"TD-DFT":[296],"calculations":[297],"(CAM-B3LYP/def2-TZVP),":[298],"allowing":[299],"assign":[301],"low":[303],"extinction":[304],"bands":[305],"found":[306],"visible":[309,335],"spectrum":[310],"unusual":[312],"low-lying":[313],"MLCT":[314],"involving":[315],"orbitals.":[317],"As":[318],"significant":[319],"red-shifts":[320],"upon":[323],"LA":[324],"coordination,":[325],"this":[326],"have":[328],"important":[329],"implications":[330],"development":[333],"light-driven":[336],"fixation.":[338]},"counts_by_year":[],"updated_date":"2026-10-13T10:08:12.033832","created_date":"2025-10-10T00:00:00"}
