{"id":"https://openalex.org/W2223525950","doi":null,"title":"Ortho Effect in the Bergman Cyclization: Electronic and Steric Effects in Hydrogen Abstraction by 1-Substituted Naphthalene 5,8-Diradicals","display_name":"Ortho Effect in the Bergman Cyclization: Electronic and Steric Effects in Hydrogen Abstraction by 1-Substituted Naphthalene 5,8-Diradicals","publication_year":2006,"publication_date":"2006-01-01","ids":{"openalex":"https://openalex.org/W2223525950","mag":"2223525950"},"language":"en","primary_location":{"id":"pmh:oai:digitalcommons.bucknell.edu:fac_journ-1171","doi":null,"is_oa":false,"landing_page_url":"https://digitalcommons.bucknell.edu/fac_journ/157","pdf_url":null,"source":{"id":"https://openalex.org/S4377196650","display_name":"Bucknell Digital Commons (Bucknell University)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/I131221577","host_organization_name":"Bucknell University","host_organization_lineage":["https://openalex.org/I131221577"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"Faculty Journal Articles","raw_type":"text"},"volume":null,"type":"article","indexed_in":[],"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/A5052474010","display_name":"George C. Shields","orcid":"https://orcid.org/0000-0003-1287-8585","observed_orcids":["https://orcid.org/0000-0003-1287-8585"]},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"George C. Shields","raw_affiliation_strings":[],"raw_orcid":"https://orcid.org/0000-0003-1287-8585","affiliations":[]},{"author_position":"middle","author":{"id":"https://openalex.org/A5067610846","display_name":"Frank C. Pickard","orcid":"https://orcid.org/0000-0002-9608-3466","observed_orcids":["https://orcid.org/0000-0002-9608-3466"]},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Frank C. Pickard","raw_affiliation_strings":[],"raw_orcid":"https://orcid.org/0000-0002-9608-3466","affiliations":[]},{"author_position":"middle","author":{"id":"https://openalex.org/A5083161140","display_name":"Rebecca L. Shepherd","orcid":null,"observed_orcids":[]},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Rebecca L. Shepherd","raw_affiliation_strings":[],"raw_orcid":null,"affiliations":[]},{"author_position":"middle","author":{"id":"https://openalex.org/A5051103821","display_name":"Amber E. Gillis","orcid":null,"observed_orcids":[]},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Amber E. Gillis","raw_affiliation_strings":[],"raw_orcid":null,"affiliations":[]},{"author_position":"middle","author":{"id":"https://openalex.org/A5064602965","display_name":"Meghan E. Dunn","orcid":null,"observed_orcids":[]},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Meghan E. Dunn","raw_affiliation_strings":[],"raw_orcid":null,"affiliations":[]},{"author_position":"middle","author":{"id":"https://openalex.org/A5055231379","display_name":"Steven Feldgus","orcid":null,"observed_orcids":[]},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Steven Feldgus","raw_affiliation_strings":[],"raw_orcid":null,"affiliations":[]},{"author_position":"middle","author":{"id":"https://openalex.org/A5000728064","display_name":"Karl N. Kirschner","orcid":"https://orcid.org/0000-0002-4581-920X","observed_orcids":["https://orcid.org/0000-0002-4581-920X"]},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Karl N. Kirschner","raw_affiliation_strings":[],"raw_orcid":null,"affiliations":[]},{"author_position":"middle","author":{"id":"https://openalex.org/A5109719395","display_name":"Mariappan Manoharan","orcid":null,"observed_orcids":[]},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Mariappan Manoharan","raw_affiliation_strings":[],"raw_orcid":null,"affiliations":[]},{"author_position":"last","author":{"id":"https://openalex.org/A5041763415","display_name":"Igor V. Alabugin","orcid":"https://orcid.org/0000-0001-9289-3819","observed_orcids":["https://orcid.org/0000-0001-9289-3819"]},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Igor V. Alabugin","raw_affiliation_strings":[],"raw_orcid":"https://orcid.org/0000-0001-9289-3819","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":0.1755152,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":null,"biblio":{"volume":"110","issue":"7","first_page":"2517","last_page":null},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T12653","display_name":"Cyclization and Aryne Chemistry","score":0.36399999260902405,"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/T12653","display_name":"Cyclization and Aryne Chemistry","score":0.36399999260902405,"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/T12893","display_name":"Organic Chemistry Cycloaddition Reactions","score":0.3215000033378601,"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/T13253","display_name":"Chemical Reactions and Mechanisms","score":0.14270000159740448,"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/bergman-cyclization","display_name":"Bergman cyclization","score":0.9399999976158142},{"id":"https://openalex.org/keywords/ortho-effect","display_name":"ortho effect","score":0.9399999976158142},{"id":"https://openalex.org/keywords/hydrogen-abstraction","display_name":"hydrogen abstraction","score":0.6600000262260437},{"id":"https://openalex.org/keywords/steric-effects","display_name":"steric effects","score":0.7200000286102295},{"id":"https://openalex.org/keywords/electronic-effects","display_name":"electronic effects","score":0.800000011920929},{"id":"https://openalex.org/keywords/transition-state","display_name":"transition state","score":0.875},{"id":"https://openalex.org/keywords/cycloaromatization","display_name":"cycloaromatization","score":0.843999981880188},{"id":"https://openalex.org/keywords/reactive-intermediates","display_name":"reactive intermediates","score":0.6299999952316284},{"id":"https://openalex.org/keywords/reaction-kinetics-and-thermodynamics","display_name":"reaction kinetics and thermodynamics","score":0.5789999961853027}],"concepts":[{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.9755880832672119},{"id":"https://openalex.org/C201194858","wikidata":"https://www.wikidata.org/wiki/Q898238","display_name":"Steric effects","level":2,"score":0.9100645780563354},{"id":"https://openalex.org/C2779255514","wikidata":"https://www.wikidata.org/wiki/Q179724","display_name":"Naphthalene","level":2,"score":0.7395958304405212},{"id":"https://openalex.org/C41339378","wikidata":"https://www.wikidata.org/wiki/Q3720155","display_name":"Electronic effect","level":3,"score":0.7392112016677856},{"id":"https://openalex.org/C81022585","wikidata":"https://www.wikidata.org/wiki/Q5954884","display_name":"Hydrogen atom abstraction","level":3,"score":0.6497461795806885},{"id":"https://openalex.org/C124304363","wikidata":"https://www.wikidata.org/wiki/Q673661","display_name":"Abstraction","level":2,"score":0.5517690181732178},{"id":"https://openalex.org/C147597530","wikidata":"https://www.wikidata.org/wiki/Q369472","display_name":"Computational chemistry","level":1,"score":0.4951392710208893},{"id":"https://openalex.org/C512968161","wikidata":"https://www.wikidata.org/wiki/Q556","display_name":"Hydrogen","level":2,"score":0.42602819204330444},{"id":"https://openalex.org/C75473681","wikidata":"https://www.wikidata.org/wiki/Q188651","display_name":"Photochemistry","level":1,"score":0.40782850980758667},{"id":"https://openalex.org/C178790620","wikidata":"https://www.wikidata.org/wiki/Q11351","display_name":"Organic chemistry","level":1,"score":0.31719696521759033},{"id":"https://openalex.org/C111472728","wikidata":"https://www.wikidata.org/wiki/Q9471","display_name":"Epistemology","level":1,"score":0.0},{"id":"https://openalex.org/C138885662","wikidata":"https://www.wikidata.org/wiki/Q5891","display_name":"Philosophy","level":0,"score":0.0}],"mesh":[],"locations_count":2,"locations":[{"id":"pmh:oai:digitalcommons.bucknell.edu:fac_journ-1171","doi":null,"is_oa":false,"landing_page_url":"https://digitalcommons.bucknell.edu/fac_journ/157","pdf_url":null,"source":{"id":"https://openalex.org/S4377196650","display_name":"Bucknell Digital Commons (Bucknell University)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/I131221577","host_organization_name":"Bucknell University","host_organization_lineage":["https://openalex.org/I131221577"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"Faculty Journal Articles","raw_type":"text"},{"id":"mag:2223525950","doi":null,"is_oa":false,"landing_page_url":"https://digitalcommons.bucknell.edu/fac_journ/157/","pdf_url":null,"source":{"id":"https://openalex.org/S24459064","display_name":"The Journal of Physical Chemistry","issn_l":"0022-3654","issn":["0022-3654","1541-5740"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["cwts-core"],"host_organization":"https://openalex.org/P4310320006","host_organization_name":"American Chemical Society","host_organization_lineage":["https://openalex.org/P4310320006"],"host_organization_lineage_names":["American Chemical Society"],"type":"journal"},"license":null,"license_id":null,"version":null,"is_accepted":false,"is_published":false,"raw_source_name":"The Journal of Physical Chemistry","raw_type":null}],"best_oa_location":null,"sustainable_development_goals":[],"study_designs":[],"awards":[],"funders":[],"has_content":{"grobid_xml":false,"pdf":false},"content_urls":null,"referenced_works_count":0,"referenced_works":[],"related_works":["https://openalex.org/W2073380387","https://openalex.org/W2030636266","https://openalex.org/W2075703316","https://openalex.org/W2087477305","https://openalex.org/W2123585923","https://openalex.org/W2052482387","https://openalex.org/W2069043108","https://openalex.org/W7113117395","https://openalex.org/W2172074203","https://openalex.org/W1985332900"],"abstract_inverted_index":{"We":[0],"present":[1],"a":[2,27,45,56],"detailed":[3],"theoretical":[4],"study":[5,43],"of":[6,12,23,39,49,55],"geometries,":[7],"electronic":[8],"structure,":[9],"and":[10,15,31,37],"energies":[11],"transition":[13],"states":[14],"intermediates":[16],"completing":[17],"the":[18,35],"full":[19],"Bergman":[20],"cycloaromatization":[21],"pathway":[22],"ortho-substituted":[24],"enediynes":[25],"with":[26],"focus":[28],"on":[29],"polar":[30],"steric":[32],"contributions":[33],"to":[34],"kinetics":[36],"thermodynamics":[38],"hydrogen":[40],"abstraction.":[41],"This":[42],"provides":[44],"rare":[46],"unambiguous":[47],"example":[48],"remote":[50],"substitution":[51],"that":[52],"affects":[53],"reactivity":[54],"neutral":[57],"reactive":[58],"intermediate":[59],"through":[60],"an":[61],"\u03c3":[62],"framework.":[63]},"counts_by_year":[],"updated_date":"2026-09-02T18:50:13.731487","created_date":"2016-06-24T00:00:00"}
