{"id":"https://openalex.org/W4293255231","doi":"https://doi.org/10.1002/bkcs.12508","title":"Determination of highest occupied molecular orbital and cationic structures of cyclopentanone using high\u2010resolution vacuum ultraviolet mass\u2010analyzed threshold ionization mass spectrophotometry","display_name":"Determination of highest occupied molecular orbital and cationic structures of cyclopentanone using high\u2010resolution vacuum ultraviolet mass\u2010analyzed threshold ionization mass spectrophotometry","publication_year":2022,"publication_date":"2022-02-15","ids":{"openalex":"https://openalex.org/W4293255231","doi":"https://doi.org/10.1002/bkcs.12508"},"language":"en","primary_location":{"id":"doi:10.1002/bkcs.12508","doi":"https://doi.org/10.1002/bkcs.12508","is_oa":false,"landing_page_url":"https://doi.org/10.1002/bkcs.12508","pdf_url":null,"source":{"id":"https://openalex.org/S77209346","display_name":"Bulletin of the Korean Chemical Society","issn_l":"0253-2964","issn":["0253-2964","1229-5949"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["cwts-core","dongbi-c","kci-registered","norway-1","poland-40","russia-white-list-3"],"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":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Bulletin of the Korean Chemical Society","raw_type":"journal-article"},"volume":null,"type":"article","is_traditional":true,"indexed_in":["crossref"],"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/A5004120646","display_name":"Yu Ran Lee","orcid":"https://orcid.org/0000-0001-9400-3613","observed_orcids":["https://orcid.org/0000-0001-9400-3613"]},"institutions":[{"id":"https://openalex.org/I4210155313","display_name":"National Forensic Institute","ror":"https://ror.org/051269613","country_code":"KR","type":"facility","lineage":["https://openalex.org/I4210155313","https://openalex.org/I4399657972"]}],"countries":["KR"],"is_corresponding":false,"raw_author_name":"Yu Ran Lee","raw_affiliation_strings":["Department Forensic Chemistry Division, National Forensic Service, Wonju, Republic of Korea"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department Forensic Chemistry Division, National Forensic Service, Wonju, Republic of Korea","institution_ids":["https://openalex.org/I4210155313"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5083262815","display_name":"Chan Ho Kwon","orcid":"https://orcid.org/0000-0003-4440-6240","observed_orcids":["https://orcid.org/0000-0003-4440-6240"]},"institutions":[{"id":"https://openalex.org/I165507594","display_name":"Kangwon National University","ror":"https://ror.org/01mh5ph17","country_code":"KR","type":"education","lineage":["https://openalex.org/I165507594"]}],"countries":["KR"],"is_corresponding":true,"raw_author_name":"Chan Ho Kwon","raw_affiliation_strings":["Department of Chemistry, Kangwon National University, Chuncheon, Republic of Korea"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Chemistry, Kangwon National University, Chuncheon, Republic of Korea","institution_ids":["https://openalex.org/I165507594"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":2,"corresponding_author_ids":["https://openalex.org/A5083262815"],"corresponding_institution_ids":["https://openalex.org/I165507594"],"apc_list":{"value":3050,"currency":"USD","value_usd":3050},"apc_paid":null,"fwci":1.3665,"has_fulltext":false,"cited_by_count":17,"citation_normalized_percentile":{"value":0.76944714,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":95,"max":98},"biblio":{"volume":"43","issue":"5","first_page":"636","last_page":"644"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T12967","display_name":"Molecular Spectroscopy and Structure","score":0.7856000065803528,"subfield":{"id":"https://openalex.org/subfields/1607","display_name":"Spectroscopy"},"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/T12967","display_name":"Molecular Spectroscopy and Structure","score":0.7856000065803528,"subfield":{"id":"https://openalex.org/subfields/1607","display_name":"Spectroscopy"},"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/T11177","display_name":"Spectroscopy and Quantum Chemical Studies","score":0.08749999850988388,"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/T10002","display_name":"Advanced Chemical Physics Studies","score":0.06859999895095825,"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"}}],"keywords":[{"id":"https://openalex.org/keywords/cyclopentanone","display_name":"cyclopentanone","score":1.0},{"id":"https://openalex.org/keywords/photoionization-dynamics","display_name":"photoionization dynamics","score":0.7310000061988831},{"id":"https://openalex.org/keywords/conformation","display_name":"conformation","score":0.6389999985694885},{"id":"https://openalex.org/keywords/twisted-conformers","display_name":"twisted conformers","score":0.8560000061988831},{"id":"https://openalex.org/keywords/highest-occupied-molecular-orbital","display_name":"highest occupied molecular orbital","score":0.847000002861023},{"id":"https://openalex.org/keywords/potential-energy-surface","display_name":"potential energy surface","score":0.6150000095367432},{"id":"https://openalex.org/keywords/franck-condon-analysis","display_name":"Franck-Condon analysis","score":0.8349999785423279}],"concepts":[{"id":"https://openalex.org/C18705241","wikidata":"https://www.wikidata.org/wiki/Q1128023","display_name":"Conformational isomerism","level":3,"score":0.9175280332565308},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.7615596055984497},{"id":"https://openalex.org/C2780256110","wikidata":"https://www.wikidata.org/wiki/Q416065","display_name":"Cyclopentanone","level":3,"score":0.6716333627700806},{"id":"https://openalex.org/C158749347","wikidata":"https://www.wikidata.org/wiki/Q10284378","display_name":"Photoionization","level":4,"score":0.5662358999252319},{"id":"https://openalex.org/C139358910","wikidata":"https://www.wikidata.org/wiki/Q725417","display_name":"Molecular orbital","level":3,"score":0.5149913430213928},{"id":"https://openalex.org/C147192597","wikidata":"https://www.wikidata.org/wiki/Q483769","display_name":"Ionization energy","level":4,"score":0.5140177011489868},{"id":"https://openalex.org/C198291218","wikidata":"https://www.wikidata.org/wiki/Q190382","display_name":"Ionization","level":3,"score":0.4897735118865967},{"id":"https://openalex.org/C8010536","wikidata":"https://www.wikidata.org/wiki/Q160398","display_name":"Crystallography","level":1,"score":0.3965778946876526},{"id":"https://openalex.org/C75473681","wikidata":"https://www.wikidata.org/wiki/Q188651","display_name":"Photochemistry","level":1,"score":0.38355788588523865},{"id":"https://openalex.org/C32909587","wikidata":"https://www.wikidata.org/wiki/Q11369","display_name":"Molecule","level":2,"score":0.16994735598564148},{"id":"https://openalex.org/C145148216","wikidata":"https://www.wikidata.org/wiki/Q36496","display_name":"Ion","level":2,"score":0.09815415740013123},{"id":"https://openalex.org/C161790260","wikidata":"https://www.wikidata.org/wiki/Q82264","display_name":"Catalysis","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},{"id":"https://openalex.org/C178790620","wikidata":"https://www.wikidata.org/wiki/Q11351","display_name":"Organic chemistry","level":1,"score":0.0}],"mesh":[],"locations_count":1,"locations":[{"id":"doi:10.1002/bkcs.12508","doi":"https://doi.org/10.1002/bkcs.12508","is_oa":false,"landing_page_url":"https://doi.org/10.1002/bkcs.12508","pdf_url":null,"source":{"id":"https://openalex.org/S77209346","display_name":"Bulletin of the Korean Chemical Society","issn_l":"0253-2964","issn":["0253-2964","1229-5949"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["cwts-core","dongbi-c","kci-registered","norway-1","poland-40","russia-white-list-3"],"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":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Bulletin of the Korean Chemical Society","raw_type":"journal-article"}],"best_oa_location":null,"sustainable_development_goals":[],"study_designs":[],"awards":[{"id":"https://openalex.org/G6404289841","display_name":null,"funder_award_id":"2020R1A2B5B02001658","funder_id":"https://openalex.org/F4320322120","funder_display_name":"National Research Foundation of Korea"}],"funders":[{"id":"https://openalex.org/F4320322120","display_name":"National Research Foundation of Korea","ror":"https://ror.org/013aysd81"}],"has_content":{"pdf":false,"grobid_xml":false},"content_urls":null,"referenced_works_count":34,"referenced_works":["https://openalex.org/W656042947","https://openalex.org/W1674194644","https://openalex.org/W1675804481","https://openalex.org/W1972295548","https://openalex.org/W1972378323","https://openalex.org/W1986457700","https://openalex.org/W1994007662","https://openalex.org/W1998321859","https://openalex.org/W2002529545","https://openalex.org/W2023723624","https://openalex.org/W2025228536","https://openalex.org/W2063136730","https://openalex.org/W2075820962","https://openalex.org/W2091067193","https://openalex.org/W2134518393","https://openalex.org/W2147225311","https://openalex.org/W2518187175","https://openalex.org/W2568787210","https://openalex.org/W2573442658","https://openalex.org/W2591495101","https://openalex.org/W2734786825","https://openalex.org/W2765119374","https://openalex.org/W2938007631","https://openalex.org/W2953975126","https://openalex.org/W2982243683","https://openalex.org/W3007749423","https://openalex.org/W3081307735","https://openalex.org/W3091375044","https://openalex.org/W3098737353","https://openalex.org/W3107552807","https://openalex.org/W3110728825","https://openalex.org/W3128795733","https://openalex.org/W3137460501","https://openalex.org/W3209635261"],"related_works":["https://openalex.org/W3137460501","https://openalex.org/W3110728825","https://openalex.org/W2982243683","https://openalex.org/W2056095630","https://openalex.org/W3007749423","https://openalex.org/W3091375044","https://openalex.org/W2048933201","https://openalex.org/W3098737353","https://openalex.org/W2953975126","https://openalex.org/W1964339942"],"abstract_inverted_index":{"Abstract":[0],"The":[1],"conformational":[2],"structure":[3],"of":[4,11,107,118,122,138],"cyclopentanone":[5],"(CP)":[6],"and":[7,46,53],"the":[8,12,18,30,34,38,44,51,59,63,71,75,80,96,105,111,119,123,127,132,136,139],"photoionization":[9],"dynamics":[10],"corresponding":[13,32],"conformer":[14,31,65,82],"were":[15,56],"investigated":[16],"using":[17],"high\u2010resolution":[19],"vacuum":[20],"ultraviolet":[21],"mass\u2010analyzed":[22],"threshold":[23],"ionization":[24],"(MATI)":[25],"spectroscopic":[26],"technique.":[27],"To":[28],"identify":[29],"to":[33,70,104],"measured":[35],"MATI":[36],"spectrum,":[37],"potential":[39],"energy":[40],"surfaces":[41],"associated":[42],"with":[43,131],"twisting":[45],"carbonyl":[47,128],"wagging":[48],"motions":[49],"in":[50,66,126,135],"S0":[52],"D0":[54],"states":[55,68],"constructed":[57],"at":[58],"B3LYP/cc\u2010pVTZ":[60],"level,":[61],"where":[62],"twisted":[64,86,140],"both":[67],"corresponded":[69],"global":[72],"minimum.":[73],"Furthermore,":[74],"Franck\u2013Condon":[76],"fitting":[77],"indicated":[78],"that":[79,95],"cationic":[81],"had":[83],"a":[84],"warped":[85],"C1":[87],"symmetry":[88],"rather":[89],"than":[90],"C2":[91],"symmetry.":[92],"This":[93],"implies":[94],"ionization\u2010induced":[97],"ring":[98,137],"distortion":[99],"can":[100],"be":[101],"principally":[102],"attributed":[103],"removal":[106],"an":[108],"electron":[109],"from":[110],"highest":[112],"occupied":[113],"molecular":[114],"orbital,":[115],"which":[116],"consists":[117],"nonbonding":[120],"orbital":[121],"oxygen":[124],"atom":[125],"group":[129],"interacting":[130],"\u03c3":[133],"orbitals":[134],"CP":[141],"conformer.":[142]},"counts_by_year":[{"year":2026,"cited_by_count":2},{"year":2025,"cited_by_count":6},{"year":2024,"cited_by_count":3},{"year":2023,"cited_by_count":3},{"year":2022,"cited_by_count":3}],"updated_date":"2026-10-30T12:39:25.321706","created_date":"2022-08-27T00:00:00"}