{"id":"https://openalex.org/W1969956396","doi":"https://doi.org/10.1021/jo1001164","title":"A Critical Analysis on the Rotation Barriers in Butane","display_name":"A Critical Analysis on the Rotation Barriers in Butane","publication_year":2010,"publication_date":"2010-03-16","ids":{"openalex":"https://openalex.org/W1969956396","doi":"https://doi.org/10.1021/jo1001164","mag":"1969956396","pmid":"https://pubmed.ncbi.nlm.nih.gov/20232841"},"language":"en","primary_location":{"id":"doi:10.1021/jo1001164","doi":"https://doi.org/10.1021/jo1001164","is_oa":false,"landing_page_url":"https://doi.org/10.1021/jo1001164","pdf_url":null,"source":{"id":"https://openalex.org/S205050996","display_name":"The Journal of Organic Chemistry","issn_l":"0022-3263","issn":["0022-3263","1520-6904"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["cwts-core","dongbi-a","jufo-2","ki-jl-2","medline","norway-2","poland-140","russia-white-list-1","vabb-shw"],"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":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"The Journal of Organic Chemistry","raw_type":"journal-article"},"volume":null,"type":"article","indexed_in":["crossref","pubmed"],"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/A5011717029","display_name":"Yirong Mo","orcid":"https://orcid.org/0000-0002-2994-7754","observed_orcids":["https://orcid.org/0000-0002-2994-7754"]},"institutions":[{"id":"https://openalex.org/I141649380","display_name":"Western Michigan University","ror":"https://ror.org/04j198w64","country_code":"US","type":"education","lineage":["https://openalex.org/I141649380"]}],"countries":["US"],"is_corresponding":true,"raw_author_name":"Yirong Mo","raw_affiliation_strings":["Department of Chemistry, Western Michigan University, Kalamazoo, Michigan 49008","Department of Chemistry, Western Michigan University, Kalamazoo,Michigan 49008,USA"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Chemistry, Western Michigan University, Kalamazoo, Michigan 49008","institution_ids":["https://openalex.org/I141649380"]},{"raw_affiliation_string":"Department of Chemistry, Western Michigan University, Kalamazoo,Michigan 49008,USA","institution_ids":["https://openalex.org/I141649380"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":1,"corresponding_author_ids":["https://openalex.org/A5011717029"],"corresponding_institution_ids":["https://openalex.org/I141649380"],"apc_list":{"value":4500,"currency":"USD","value_usd":4500},"apc_paid":null,"fwci":1.5435,"has_fulltext":false,"cited_by_count":39,"citation_normalized_percentile":{"value":0.81905079,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":89,"max":99},"biblio":{"volume":"75","issue":"8","first_page":"2733","last_page":"2736"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10002","display_name":"Advanced Chemical Physics Studies","score":0.9175000190734863,"subfield":{"id":"https://openalex.org/subfields/3107","display_name":"Atomic and Molecular Physics, and Optics"},"field":{"id":"https://openalex.org/fields/31","display_name":"Physics and Astronomy"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},"topics":[{"id":"https://openalex.org/T10002","display_name":"Advanced Chemical Physics Studies","score":0.9175000190734863,"subfield":{"id":"https://openalex.org/subfields/3107","display_name":"Atomic and Molecular Physics, and Optics"},"field":{"id":"https://openalex.org/fields/31","display_name":"Physics and Astronomy"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T12044","display_name":"Advanced Physical and Chemical Molecular Interactions","score":0.05130000039935112,"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"}},{"id":"https://openalex.org/T12191","display_name":"Chemical Reaction Mechanisms","score":0.006599999964237213,"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/butane","display_name":"butane","score":0.9750000238418579},{"id":"https://openalex.org/keywords/rotational-barriers","display_name":"rotational barriers","score":0.703000009059906},{"id":"https://openalex.org/keywords/steric-hindrance","display_name":"steric hindrance","score":0.9589999914169312},{"id":"https://openalex.org/keywords/hyperconjugation","display_name":"hyperconjugation","score":0.8820000290870667},{"id":"https://openalex.org/keywords/conformational-analysis","display_name":"conformational analysis","score":0.8640000224113464},{"id":"https://openalex.org/keywords/gauche-and-anti-conformers","display_name":"gauche and anti conformers","score":0.6800000071525574},{"id":"https://openalex.org/keywords/steric-repulsion","display_name":"steric repulsion","score":0.718999981880188},{"id":"https://openalex.org/keywords/electronic-interaction","display_name":"electronic interaction","score":0.5490000247955322}],"concepts":[{"id":"https://openalex.org/C201194858","wikidata":"https://www.wikidata.org/wiki/Q898238","display_name":"Steric effects","level":2,"score":0.9698072075843811},{"id":"https://openalex.org/C2778717364","wikidata":"https://www.wikidata.org/wiki/Q134192","display_name":"Butane","level":3,"score":0.7521916627883911},{"id":"https://openalex.org/C18705241","wikidata":"https://www.wikidata.org/wiki/Q1128023","display_name":"Conformational isomerism","level":3,"score":0.6613481044769287},{"id":"https://openalex.org/C74050887","wikidata":"https://www.wikidata.org/wiki/Q848368","display_name":"Rotation (mathematics)","level":2,"score":0.6456965208053589},{"id":"https://openalex.org/C147597530","wikidata":"https://www.wikidata.org/wiki/Q369472","display_name":"Computational chemistry","level":1,"score":0.6047890186309814},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.5657868385314941},{"id":"https://openalex.org/C159467904","wikidata":"https://www.wikidata.org/wiki/Q2001702","display_name":"Chemical physics","level":1,"score":0.4747731387615204},{"id":"https://openalex.org/C8010536","wikidata":"https://www.wikidata.org/wiki/Q160398","display_name":"Crystallography","level":1,"score":0.3218499422073364},{"id":"https://openalex.org/C71240020","wikidata":"https://www.wikidata.org/wiki/Q186011","display_name":"Stereochemistry","level":1,"score":0.28443643450737},{"id":"https://openalex.org/C32909587","wikidata":"https://www.wikidata.org/wiki/Q11369","display_name":"Molecule","level":2,"score":0.28221994638442993},{"id":"https://openalex.org/C178790620","wikidata":"https://www.wikidata.org/wiki/Q11351","display_name":"Organic chemistry","level":1,"score":0.17810940742492676},{"id":"https://openalex.org/C2524010","wikidata":"https://www.wikidata.org/wiki/Q8087","display_name":"Geometry","level":1,"score":0.10112455487251282},{"id":"https://openalex.org/C33923547","wikidata":"https://www.wikidata.org/wiki/Q395","display_name":"Mathematics","level":0,"score":0.09580501914024353},{"id":"https://openalex.org/C161790260","wikidata":"https://www.wikidata.org/wiki/Q82264","display_name":"Catalysis","level":2,"score":0.07209259271621704}],"mesh":[],"locations_count":2,"locations":[{"id":"doi:10.1021/jo1001164","doi":"https://doi.org/10.1021/jo1001164","is_oa":false,"landing_page_url":"https://doi.org/10.1021/jo1001164","pdf_url":null,"source":{"id":"https://openalex.org/S205050996","display_name":"The Journal of Organic Chemistry","issn_l":"0022-3263","issn":["0022-3263","1520-6904"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["cwts-core","dongbi-a","jufo-2","ki-jl-2","medline","norway-2","poland-140","russia-white-list-1","vabb-shw"],"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":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"The Journal of Organic Chemistry","raw_type":"journal-article"},{"id":"pmid:20232841","doi":null,"is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/20232841","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":"The Journal of organic chemistry","raw_type":"Journal Article"}],"best_oa_location":null,"sustainable_development_goals":[],"study_designs":[],"awards":[],"funders":[],"has_content":{"pdf":false,"grobid_xml":false},"content_urls":null,"referenced_works_count":50,"referenced_works":["https://openalex.org/W623063287","https://openalex.org/W654702463","https://openalex.org/W1496688955","https://openalex.org/W1574356778","https://openalex.org/W1965019007","https://openalex.org/W1969455257","https://openalex.org/W1975160218","https://openalex.org/W1987357677","https://openalex.org/W1990396921","https://openalex.org/W1993999000","https://openalex.org/W1995051100","https://openalex.org/W1996403326","https://openalex.org/W1997023432","https://openalex.org/W1998340949","https://openalex.org/W2001842982","https://openalex.org/W2002189637","https://openalex.org/W2008456325","https://openalex.org/W2014476508","https://openalex.org/W2015903473","https://openalex.org/W2020069533","https://openalex.org/W2028281685","https://openalex.org/W2032289703","https://openalex.org/W2038546983","https://openalex.org/W2046729271","https://openalex.org/W2051707493","https://openalex.org/W2055068212","https://openalex.org/W2057715237","https://openalex.org/W2060104381","https://openalex.org/W2067294874","https://openalex.org/W2068128826","https://openalex.org/W2069011116","https://openalex.org/W2076575873","https://openalex.org/W2076653173","https://openalex.org/W2077596701","https://openalex.org/W2078678787","https://openalex.org/W2079256799","https://openalex.org/W2083266285","https://openalex.org/W2083510154","https://openalex.org/W2085335132","https://openalex.org/W2114030802","https://openalex.org/W2120571147","https://openalex.org/W2120787330","https://openalex.org/W2131827532","https://openalex.org/W2134670420","https://openalex.org/W2144305938","https://openalex.org/W2147802136","https://openalex.org/W2155430111","https://openalex.org/W2157915887","https://openalex.org/W2951669052","https://openalex.org/W4247340517"],"related_works":["https://openalex.org/W2157915887","https://openalex.org/W2087213240","https://openalex.org/W595601537","https://openalex.org/W2162147120","https://openalex.org/W2134670420","https://openalex.org/W2114030802","https://openalex.org/W2018220829","https://openalex.org/W1995051100","https://openalex.org/W2085335132","https://openalex.org/W2322459238"],"abstract_inverted_index":{"As":[0],"a":[1,27],"textbook":[2],"prototype":[3],"for":[4,22],"the":[5,13,16,33,41,46,60,67,70,78],"introduction":[6],"of":[7,15],"steric":[8,34,79],"hindrance":[9],"in":[10,59],"organic":[11],"chemistry,":[12],"elucidation":[14],"butane":[17],"rotation":[18],"barriers":[19,74],"is":[20],"fundamental":[21],"structural":[23],"theory,":[24],"and":[25,35,63,73],"requires":[26],"consistent":[28],"theoretical":[29],"model":[30],"to":[31,44],"differentiate":[32],"electronic":[36,47],"effects.":[37],"Here":[38],"we":[39],"employed":[40],"BLW":[42],"method":[43],"probe":[45],"(hyperconjugative)":[48],"interactions.":[49],"Results":[50],"show":[51],"that":[52],"although":[53],"there":[54],"are":[55,75],"stronger":[56],"hyperconjugative":[57],"interactions":[58],"staggered":[61],"anti":[62],"gauche":[64],"conformers":[65],"than":[66],"eclipsed":[68],"structures,":[69],"energy":[71],"curve":[72],"dominated":[76],"by":[77],"repulsion.":[80]},"counts_by_year":[{"year":2024,"cited_by_count":2},{"year":2023,"cited_by_count":4},{"year":2022,"cited_by_count":3},{"year":2021,"cited_by_count":2},{"year":2020,"cited_by_count":1},{"year":2019,"cited_by_count":1},{"year":2018,"cited_by_count":2},{"year":2017,"cited_by_count":1},{"year":2016,"cited_by_count":3},{"year":2015,"cited_by_count":7},{"year":2014,"cited_by_count":4},{"year":2013,"cited_by_count":4}],"updated_date":"2026-10-16T09:59:22.235173","created_date":"2016-06-24T00:00:00"}