{"id":"https://openalex.org/W2990907484","doi":"https://doi.org/10.1002/chem.201905359","title":"Ligand\u2010Mediated Regioselective Rhodium\u2010Catalyzed Benzotriazole\u2013Allene Coupling: Mechanistic Exploration and Quantum Chemical Analysis","display_name":"Ligand\u2010Mediated Regioselective Rhodium\u2010Catalyzed Benzotriazole\u2013Allene Coupling: Mechanistic Exploration and Quantum Chemical Analysis","publication_year":2019,"publication_date":"2019-11-28","ids":{"openalex":"https://openalex.org/W2990907484","doi":"https://doi.org/10.1002/chem.201905359","mag":"2990907484","pmid":"https://pubmed.ncbi.nlm.nih.gov/31778591","pmcid":"https://www.ncbi.nlm.nih.gov/pmc/articles/7064967"},"language":"en","primary_location":{"id":"doi:10.1002/chem.201905359","doi":"https://doi.org/10.1002/chem.201905359","is_oa":true,"landing_page_url":"https://doi.org/10.1002/chem.201905359","pdf_url":"https://onlinelibrary.wiley.com/doi/pdfdirect/10.1002/chem.201905359","source":{"id":"https://openalex.org/S68911691","display_name":"Chemistry - A European Journal","issn_l":"0947-6539","issn":["0947-6539","1521-3765"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["anvur-scientific","cwts-core","dongbi-c","jufo-2","ki-jl-2","medline","norway-2","poland-140","russia-white-list-1","vabb-shw"],"host_organization":"https://openalex.org/P4310320595","host_organization_name":"Wiley","host_organization_lineage":["https://openalex.org/P4310320595"],"host_organization_lineage_names":["Wiley"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Chemistry \u2013 A European Journal","raw_type":"journal-article"},"parent_works":[],"lineage":["https://openalex.org/W2990907484"],"child_works_count":0,"type":"article","is_traditional":true,"indexed_in":["crossref","pubmed"],"open_access":{"is_oa":true,"oa_status":"hybrid","oa_url":"https://onlinelibrary.wiley.com/doi/pdfdirect/10.1002/chem.201905359","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5078829368","display_name":"Tetiana Sergeieva","orcid":"https://orcid.org/0000-0003-3040-3460","observed_orcids":["https://orcid.org/0000-0003-3040-3460"]},"institutions":[{"id":"https://openalex.org/I161046081","display_name":"University of Freiburg","ror":"https://ror.org/0245cg223","country_code":"DE","type":"education","lineage":["https://openalex.org/I161046081"]},{"id":"https://openalex.org/I865915315","display_name":"Vrije Universiteit Amsterdam","ror":"https://ror.org/008xxew50","country_code":"NL","type":"education","lineage":["https://openalex.org/I865915315"]}],"countries":["DE","NL"],"is_corresponding":false,"raw_author_name":"Tetiana Sergeieva","raw_affiliation_strings":["Department of Theoretical Chemistry, Amsterdam Center for Multiscale Modeling (ACMM), Vrije Universiteit Amsterdam, De Boelelaan 1083, 1081 HV, Amsterdam, The Netherlands","Institute for Organic Chemistry, University of Freiburg, Albertstrasse 21, 79104 Freiburg im Breisgau, Germany"],"raw_orcid":"https://orcid.org/0000-0003-3040-3460","affiliations":[{"raw_affiliation_string":"Department of Theoretical Chemistry, Amsterdam Center for Multiscale Modeling (ACMM), Vrije Universiteit Amsterdam, De Boelelaan 1083, 1081 HV, Amsterdam, The Netherlands","institution_ids":["https://openalex.org/I865915315"]},{"raw_affiliation_string":"Institute for Organic Chemistry, University of Freiburg, Albertstrasse 21, 79104 Freiburg im Breisgau, Germany","institution_ids":["https://openalex.org/I161046081"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5085821264","display_name":"Trevor A. Hamlin","orcid":"https://orcid.org/0000-0002-5128-1004","observed_orcids":["https://orcid.org/0000-0002-5128-1004"]},"institutions":[{"id":"https://openalex.org/I865915315","display_name":"Vrije Universiteit Amsterdam","ror":"https://ror.org/008xxew50","country_code":"NL","type":"education","lineage":["https://openalex.org/I865915315"]}],"countries":["NL"],"is_corresponding":false,"raw_author_name":"Trevor A. Hamlin","raw_affiliation_strings":["Department of Theoretical Chemistry, Amsterdam Center for Multiscale Modeling (ACMM), Vrije Universiteit Amsterdam, De Boelelaan 1083, 1081 HV, Amsterdam, The Netherlands"],"raw_orcid":"https://orcid.org/0000-0002-5128-1004","affiliations":[{"raw_affiliation_string":"Department of Theoretical Chemistry, Amsterdam Center for Multiscale Modeling (ACMM), Vrije Universiteit Amsterdam, De Boelelaan 1083, 1081 HV, Amsterdam, The Netherlands","institution_ids":["https://openalex.org/I865915315"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5050655561","display_name":"Sergiy I. Okovytyy","orcid":"https://orcid.org/0000-0003-4367-1309","observed_orcids":["https://orcid.org/0000-0003-4367-1309"]},"institutions":[{"id":"https://openalex.org/I883679329","display_name":"Oles Honchar Dnipro National University","ror":"https://ror.org/00qk1f078","country_code":"UA","type":"education","lineage":["https://openalex.org/I883679329"]}],"countries":["UA"],"is_corresponding":false,"raw_author_name":"Sergiy Okovytyy","raw_affiliation_strings":["Department of Chemistry, Oles Honchar Dnipro National University, 72 Gagarina Avn., 49000 Dnipro, Ukraine"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Chemistry, Oles Honchar Dnipro National University, 72 Gagarina Avn., 49000 Dnipro, Ukraine","institution_ids":["https://openalex.org/I883679329"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5067624195","display_name":"Bernhard Breit","orcid":"https://orcid.org/0000-0002-2514-3898","observed_orcids":["https://orcid.org/0000-0002-2514-3898"]},"institutions":[{"id":"https://openalex.org/I161046081","display_name":"University of Freiburg","ror":"https://ror.org/0245cg223","country_code":"DE","type":"education","lineage":["https://openalex.org/I161046081"]}],"countries":["DE"],"is_corresponding":true,"raw_author_name":"Bernhard Breit","raw_affiliation_strings":["Institute for Organic Chemistry, University of Freiburg, Albertstrasse 21, 79104 Freiburg im Breisgau, Germany"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Institute for Organic Chemistry, University of Freiburg, Albertstrasse 21, 79104 Freiburg im Breisgau, Germany","institution_ids":["https://openalex.org/I161046081"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5022455257","display_name":"F. Matthias Bickelhaupt","orcid":"https://orcid.org/0000-0003-4655-7747","observed_orcids":["https://orcid.org/0000-0003-4655-7747"]},"institutions":[{"id":"https://openalex.org/I145872427","display_name":"Radboud University Nijmegen","ror":"https://ror.org/016xsfp80","country_code":"NL","type":"education","lineage":["https://openalex.org/I145872427"]},{"id":"https://openalex.org/I865915315","display_name":"Vrije Universiteit Amsterdam","ror":"https://ror.org/008xxew50","country_code":"NL","type":"education","lineage":["https://openalex.org/I865915315"]}],"countries":["NL"],"is_corresponding":true,"raw_author_name":"F. Matthias Bickelhaupt","raw_affiliation_strings":["Department of Theoretical Chemistry, Amsterdam Center for Multiscale Modeling (ACMM), Vrije Universiteit Amsterdam, De Boelelaan 1083, 1081 HV, Amsterdam, The Netherlands","Institute for Molecules and Materials (IMM), Radboud University, Heyendaalseweg 135, 6525 AJ, Nijmegen, The Netherlands"],"raw_orcid":"https://orcid.org/0000-0003-4655-7747","affiliations":[{"raw_affiliation_string":"Department of Theoretical Chemistry, Amsterdam Center for Multiscale Modeling (ACMM), Vrije Universiteit Amsterdam, De Boelelaan 1083, 1081 HV, Amsterdam, The Netherlands","institution_ids":["https://openalex.org/I865915315"]},{"raw_affiliation_string":"Institute for Molecules and Materials (IMM), Radboud University, Heyendaalseweg 135, 6525 AJ, Nijmegen, The Netherlands","institution_ids":["https://openalex.org/I145872427"]}]}],"institutions":[],"countries_distinct_count":3,"institutions_distinct_count":4,"corresponding_author_ids":["https://openalex.org/A5022455257","https://openalex.org/A5067624195"],"corresponding_institution_ids":["https://openalex.org/I145872427","https://openalex.org/I161046081","https://openalex.org/I865915315"],"apc_list":{"value":4000,"currency":"USD","value_usd":4000},"apc_paid":{"value":4000,"currency":"USD","value_usd":4000},"fwci":1.3038,"has_fulltext":true,"cited_by_count":19,"citation_normalized_percentile":{"value":0.74941342,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":88,"max":98},"biblio":{"volume":"26","issue":"11","first_page":"2342","last_page":"2348"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10548","display_name":"Catalytic Cross-Coupling Reactions","score":0.31520000100135803,"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/T10548","display_name":"Catalytic Cross-Coupling Reactions","score":0.31520000100135803,"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/T10092","display_name":"Organometallic Complex Synthesis and Catalysis","score":0.2003999948501587,"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/T10871","display_name":"Catalytic Alkyne Reactions","score":0.1784999966621399,"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/rhodium-catalysis","display_name":"rhodium catalysis","score":0.8820000290870667},{"id":"https://openalex.org/keywords/1-2-3-benzotriazole","display_name":"1,2,3-benzotriazole","score":0.8999999761581421},{"id":"https://openalex.org/keywords/regioselectivity","display_name":"regioselectivity","score":0.9800000190734863},{"id":"https://openalex.org/keywords/oxidative-addition","display_name":"oxidative addition","score":0.7390000224113464},{"id":"https://openalex.org/keywords/dpephos-ligand","display_name":"DPEphos ligand","score":0.9929999709129333},{"id":"https://openalex.org/keywords/activation-strain-model","display_name":"activation strain model","score":0.7670000195503235},{"id":"https://openalex.org/keywords/electrostatic-interactions","display_name":"electrostatic interactions","score":0.7739999890327454},{"id":"https://openalex.org/keywords/gibbs-free-energy-profiles","display_name":"Gibbs free energy profiles","score":0.7379999756813049},{"id":"https://openalex.org/keywords/reaction-mechanism","display_name":"reaction mechanism","score":0.625},{"id":"https://openalex.org/keywords/quantum-chemical-analysis","display_name":"quantum chemical analysis","score":0.6570000052452087}],"concepts":[{"id":"https://openalex.org/C59759590","wikidata":"https://www.wikidata.org/wiki/Q2275927","display_name":"Regioselectivity","level":3,"score":0.9006984233856201},{"id":"https://openalex.org/C2777844968","wikidata":"https://www.wikidata.org/wiki/Q220672","display_name":"Benzotriazole","level":2,"score":0.8158419132232666},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.7977240085601807},{"id":"https://openalex.org/C521398313","wikidata":"https://www.wikidata.org/wiki/Q1087","display_name":"Rhodium","level":3,"score":0.7317568063735962},{"id":"https://openalex.org/C2778652500","wikidata":"https://www.wikidata.org/wiki/Q411369","display_name":"Allene","level":3,"score":0.7047480344772339},{"id":"https://openalex.org/C116569031","wikidata":"https://www.wikidata.org/wiki/Q899107","display_name":"Ligand (biochemistry)","level":3,"score":0.6604852676391602},{"id":"https://openalex.org/C94882840","wikidata":"https://www.wikidata.org/wiki/Q2123471","display_name":"Oxidative addition","level":3,"score":0.5432965755462646},{"id":"https://openalex.org/C161790260","wikidata":"https://www.wikidata.org/wiki/Q82264","display_name":"Catalysis","level":2,"score":0.5231646299362183},{"id":"https://openalex.org/C147597530","wikidata":"https://www.wikidata.org/wiki/Q369472","display_name":"Computational chemistry","level":1,"score":0.4922398626804352},{"id":"https://openalex.org/C83155894","wikidata":"https://www.wikidata.org/wiki/Q17073685","display_name":"Oxidative coupling of methane","level":3,"score":0.48062676191329956},{"id":"https://openalex.org/C75473681","wikidata":"https://www.wikidata.org/wiki/Q188651","display_name":"Photochemistry","level":1,"score":0.35437241196632385},{"id":"https://openalex.org/C178790620","wikidata":"https://www.wikidata.org/wiki/Q11351","display_name":"Organic chemistry","level":1,"score":0.15615013241767883},{"id":"https://openalex.org/C170493617","wikidata":"https://www.wikidata.org/wiki/Q208467","display_name":"Receptor","level":2,"score":0.0},{"id":"https://openalex.org/C55493867","wikidata":"https://www.wikidata.org/wiki/Q7094","display_name":"Biochemistry","level":1,"score":0.0}],"mesh":[],"locations_count":8,"locations":[{"id":"doi:10.1002/chem.201905359","doi":"https://doi.org/10.1002/chem.201905359","is_oa":true,"landing_page_url":"https://doi.org/10.1002/chem.201905359","pdf_url":"https://onlinelibrary.wiley.com/doi/pdfdirect/10.1002/chem.201905359","source":{"id":"https://openalex.org/S68911691","display_name":"Chemistry - A European Journal","issn_l":"0947-6539","issn":["0947-6539","1521-3765"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["anvur-scientific","cwts-core","dongbi-c","jufo-2","ki-jl-2","medline","norway-2","poland-140","russia-white-list-1","vabb-shw"],"host_organization":"https://openalex.org/P4310320595","host_organization_name":"Wiley","host_organization_lineage":["https://openalex.org/P4310320595"],"host_organization_lineage_names":["Wiley"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Chemistry \u2013 A European Journal","raw_type":"journal-article"},{"id":"pmh:oai:europepmc.org:6026516","doi":null,"is_oa":true,"landing_page_url":"https://www.ncbi.nlm.nih.gov/pmc/articles/7064967","pdf_url":null,"source":{"id":"https://openalex.org/S4306400806","display_name":"Europe PMC (PubMed Central)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/I1303153112","host_organization_name":"European Bioinformatics Institute","host_organization_lineage":["https://openalex.org/I1303153112"],"host_organization_lineage_names":[],"type":"repository"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":null,"raw_type":"Text"},{"id":"pmid:31778591","doi":null,"is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/31778591","pdf_url":null,"source":{"id":"https://openalex.org/S4306525036","display_name":"PubMed","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/I1299303238","host_organization_name":"National Institutes of Health","host_organization_lineage":["https://openalex.org/I1299303238"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Chemistry (Weinheim an der Bergstrasse, Germany)","raw_type":"Journal Article"},{"id":"pmh:oai:pubmedcentral.nih.gov:7064967","doi":null,"is_oa":true,"landing_page_url":"https://pmc.ncbi.nlm.nih.gov/articles/PMC7064967/","pdf_url":null,"source":{"id":"https://openalex.org/S2764455111","display_name":"PubMed Central","issn_l":null,"issn":null,"is_oa":true,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/I1299303238","host_organization_name":"National Institutes of Health","host_organization_lineage":["https://openalex.org/I1299303238"],"host_organization_lineage_names":[],"type":"repository"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Chemistry","raw_type":"Text"},{"id":"pmh:oai:repository.ubn.ru.nl:2066/228437","doi":null,"is_oa":false,"landing_page_url":"https://hdl.handle.net/2066/228437","pdf_url":null,"source":{"id":"https://openalex.org/S4306401067","display_name":"Radboud Repository (Radboud University)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/I145872427","host_organization_name":"Radboud University Nijmegen","host_organization_lineage":["https://openalex.org/I145872427"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"Chemistry : a European Journal, 26, 11, pp. 2342-2348","raw_type":"Article / Letter to editor"},{"id":"pmh:oai:research.vu.nl:openaire/4ce65e2f-6aca-45da-8c84-f5e29548f8e9","doi":null,"is_oa":true,"landing_page_url":"https://research.vu.nl/en/publications/4ce65e2f-6aca-45da-8c84-f5e29548f8e9","pdf_url":null,"source":{"id":"https://openalex.org/S4306401107","display_name":"VU Research Portal","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/I865915315","host_organization_name":"Vrije Universiteit Amsterdam","host_organization_lineage":["https://openalex.org/I865915315"],"host_organization_lineage_names":[],"type":"repository"},"license":"other-oa","license_id":"https://openalex.org/licenses/other-oa","version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"Sergeieva, T, Hamlin, T A, Okovytyy, S, Breit, B & Bickelhaupt, F M 2020, 'Ligand-Mediated Regioselective Rhodium-Catalyzed Benzotriazole\u2013Allene Coupling : Mechanistic Exploration and Quantum Chemical Analysis', Chemistry: A European Journal, vol. 26, no. 11, pp. 2342-2348. https://doi.org/10.1002/chem.201905359","raw_type":"article"},{"id":"pmh:ru:oai:repository.ubn.ru.nl:2066/228437","doi":null,"is_oa":true,"landing_page_url":"http://hdl.handle.net/2066/228437","pdf_url":null,"source":{"id":"https://openalex.org/S4306401067","display_name":"Radboud Repository (Radboud University)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/I145872427","host_organization_name":"Radboud University Nijmegen","host_organization_lineage":["https://openalex.org/I145872427"],"host_organization_lineage_names":[],"type":"repository"},"license":"other-oa","license_id":"https://openalex.org/licenses/other-oa","version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"Chemistry : a European Journal, 26, 2342 - 2348","raw_type":"info:eu-repo/semantics/article"},{"id":"pmh:vu:oai:research.vu.nl:publications/4ce65e2f-6aca-45da-8c84-f5e29548f8e9","doi":null,"is_oa":true,"landing_page_url":"https://research.vu.nl/en/publications/4ce65e2f-6aca-45da-8c84-f5e29548f8e9","pdf_url":null,"source":{"id":"https://openalex.org/S4306401843","display_name":"Data Archiving and Networked Services (DANS)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/I1322597698","host_organization_name":"Royal Netherlands Academy of Arts and Sciences","host_organization_lineage":["https://openalex.org/I1322597698"],"host_organization_lineage_names":[],"type":"repository"},"license":"other-oa","license_id":"https://openalex.org/licenses/other-oa","version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"Chemistry: A European Journal, 26(11), 2342 - 2348. Wiley-VCH Verlag","raw_type":"info:eu-repo/semantics/article"}],"best_oa_location":{"id":"doi:10.1002/chem.201905359","doi":"https://doi.org/10.1002/chem.201905359","is_oa":true,"landing_page_url":"https://doi.org/10.1002/chem.201905359","pdf_url":"https://onlinelibrary.wiley.com/doi/pdfdirect/10.1002/chem.201905359","source":{"id":"https://openalex.org/S68911691","display_name":"Chemistry - A European Journal","issn_l":"0947-6539","issn":["0947-6539","1521-3765"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["anvur-scientific","cwts-core","dongbi-c","jufo-2","ki-jl-2","medline","norway-2","poland-140","russia-white-list-1","vabb-shw"],"host_organization":"https://openalex.org/P4310320595","host_organization_name":"Wiley","host_organization_lineage":["https://openalex.org/P4310320595"],"host_organization_lineage_names":["Wiley"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Chemistry \u2013 A European Journal","raw_type":"journal-article"},"sustainable_development_goals":[],"study_designs":[],"awards":[{"id":"https://openalex.org/G4216953734","display_name":null,"funder_award_id":"EU/FP7/Marie Curie Actions/COFUND","funder_id":"https://openalex.org/F4320338337","funder_display_name":"H2020 Marie Sk\u0142odowska-Curie Actions"},{"id":"https://openalex.org/G7613920406","display_name":null,"funder_award_id":"DMR110088","funder_id":"https://openalex.org/F4320337367","funder_display_name":"Division of Materials Research"},{"id":"https://openalex.org/G8423653713","display_name":null,"funder_award_id":"ACI-1548562","funder_id":"https://openalex.org/F4320337367","funder_display_name":"Division of Materials Research"}],"funders":[{"id":"https://openalex.org/F4320321114","display_name":"Bundesministerium f\u00fcr Bildung und Forschung","ror":"https://ror.org/04pz7b180"},{"id":"https://openalex.org/F4320321800","display_name":"Nederlandse Organisatie voor Wetenschappelijk Onderzoek","ror":"https://ror.org/04jsz6e67"},{"id":"https://openalex.org/F4320337367","display_name":"Division of Materials Research","ror":"https://ror.org/01pc7k308"},{"id":"https://openalex.org/F4320338337","display_name":"H2020 Marie Sk\u0142odowska-Curie Actions","ror":null}],"has_content":{"pdf":true,"grobid_xml":true},"content_urls":{"pdf":"https://content.openalex.org/works/W2990907484.pdf","grobid_xml":"https://content.openalex.org/works/W2990907484.grobid-xml"},"referenced_works_count":50,"referenced_works":["https://openalex.org/W1547848189","https://openalex.org/W1925589081","https://openalex.org/W1926827464","https://openalex.org/W1964107159","https://openalex.org/W1982356449","https://openalex.org/W1993454155","https://openalex.org/W2003372805","https://openalex.org/W2005259511","https://openalex.org/W2011215428","https://openalex.org/W2013732865","https://openalex.org/W2021231925","https://openalex.org/W2023271753","https://openalex.org/W2025688554","https://openalex.org/W2037570317","https://openalex.org/W2040050898","https://openalex.org/W2046412723","https://openalex.org/W2053103662","https://openalex.org/W2058363175","https://openalex.org/W2058873194","https://openalex.org/W2064881372","https://openalex.org/W2086288648","https://openalex.org/W2092157292","https://openalex.org/W2113149303","https://openalex.org/W2116373706","https://openalex.org/W2126952850","https://openalex.org/W2129605972","https://openalex.org/W2137052561","https://openalex.org/W2141154798","https://openalex.org/W2143981217","https://openalex.org/W2148284063","https://openalex.org/W2150345533","https://openalex.org/W2166198169","https://openalex.org/W2316196575","https://openalex.org/W2331628805","https://openalex.org/W2489824448","https://openalex.org/W2527728575","https://openalex.org/W2609987954","https://openalex.org/W2617139811","https://openalex.org/W2736178248","https://openalex.org/W2788028879","https://openalex.org/W2792180805","https://openalex.org/W2886115365","https://openalex.org/W2904638186","https://openalex.org/W2908714433","https://openalex.org/W2948511388","https://openalex.org/W2951087633","https://openalex.org/W2951805130","https://openalex.org/W4236777720","https://openalex.org/W4248416382","https://openalex.org/W6893904994"],"related_works":["https://openalex.org/W4236777720","https://openalex.org/W4395011049","https://openalex.org/W2782966541","https://openalex.org/W4248416382","https://openalex.org/W2990032755","https://openalex.org/W1947121200","https://openalex.org/W2067994274","https://openalex.org/W3094643562","https://openalex.org/W2800233037","https://openalex.org/W2996822024"],"abstract_inverted_index":{"The":[0,105],"ligand-controlled":[1],"rhodium-catalyzed":[2],"regioselective":[3],"coupling":[4],"of":[5,25,61,94,107,115],"1,2,3-benzotriazoles":[6],"and":[7,101,120],"allenes":[8],"was":[9,56,111,127],"investigated":[10],"by":[11,67,91,113],"DFT":[12],"calculations.":[13],"Because":[14],"allylation":[15,48,55],"can":[16],"occur":[17],"at":[18],"either":[19],"the":[20,26,28,44,50,62,69,84,92,95,99,102,108,116,130,135,139,147],"N1":[21,47,148],"or":[22],"N2":[23,54,86,140],"position":[24],"1,2,3-benzotriazole,":[27],"complete":[29],"Gibbs":[30],"free":[31],"energy":[32,78],"profiles":[33],"for":[34,43,138],"both":[35],"pathways":[36],"were":[37],"computed.":[38],"A":[39],"kinetic":[40],"preference":[41],"emerged":[42],"experimentally":[45],"observed":[46],"with":[49,58,75],"JoSPOphos":[51],"ligand,":[52],"whereas":[53],"favored":[57],"DPEphos.":[59],"Analysis":[60],"regiodetermining":[63],"oxidative":[64,136],"addition":[65,137],"step":[66],"using":[68],"activation":[70],"strain":[71],"model":[72],"in":[73,134,146],"conjunction":[74],"a":[76,123],"matching":[77],"decomposition":[79],"analysis":[80,114],"has":[81],"revealed":[82],"that":[83],"unprecedented":[85],"reaction":[87],"regioselectivity":[88],"is":[89],"dictated":[90],"strength":[93],"electrostatic":[96,109,117,125],"interactions":[97,143],"between":[98,129],"1,2,3-benzotriazole":[100],"rhodium":[103],"catalyst.":[104],"nature":[106],"interaction":[110,126],"rationalized":[112],"potential":[118],"maps":[119],"Hirshfeld":[121],"charges:":[122],"stabilizing":[124],"found":[128],"key":[131],"atoms":[132],"involved":[133],"pathway,":[141],"analogous":[142],"are":[144],"weaker":[145],"case.":[149]},"counts_by_year":[{"year":2026,"cited_by_count":1},{"year":2025,"cited_by_count":1},{"year":2024,"cited_by_count":2},{"year":2023,"cited_by_count":1},{"year":2022,"cited_by_count":5},{"year":2021,"cited_by_count":5},{"year":2020,"cited_by_count":4}],"updated_date":"2026-11-14T11:04:58.165337","created_date":"2019-12-05T00:00:00"}
