{"id":"https://openalex.org/W2004641907","doi":"https://doi.org/10.1021/jz100048v","title":"Shared-Proton Mode Lights up the Infrared Spectrum of Fluxional Cations H5+ and D5+","display_name":"Shared-Proton Mode Lights up the Infrared Spectrum of Fluxional Cations H5+ and D5+","publication_year":2010,"publication_date":"2010-02-01","ids":{"openalex":"https://openalex.org/W2004641907","doi":"https://doi.org/10.1021/jz100048v","mag":"2004641907"},"language":"en","primary_location":{"id":"doi:10.1021/jz100048v","doi":"https://doi.org/10.1021/jz100048v","is_oa":false,"landing_page_url":"https://doi.org/10.1021/jz100048v","pdf_url":null,"source":{"id":"https://openalex.org/S123480357","display_name":"The Journal of Physical Chemistry Letters","issn_l":"1948-7185","issn":["1948-7185"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["cwts-core","dongbi-a","jufo-3","ki-jl-1","medline","norway-1","poland-200","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 Physical Chemistry Letters","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/A5108620470","display_name":"Timothy C. Cheng","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I165733156","display_name":"University of Georgia","ror":"https://ror.org/00te3t702","country_code":"US","type":"education","lineage":["https://openalex.org/I165733156"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Timothy C. Cheng","raw_affiliation_strings":["Department of Chemistry, University of Georgia, Athens, Georgia 30602"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Chemistry, University of Georgia, Athens, Georgia 30602","institution_ids":["https://openalex.org/I165733156"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5007465752","display_name":"Biswajit Bandyopadyay","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I165733156","display_name":"University of Georgia","ror":"https://ror.org/00te3t702","country_code":"US","type":"education","lineage":["https://openalex.org/I165733156"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Biswajit Bandyopadyay","raw_affiliation_strings":["Department of Chemistry, University of Georgia, Athens, Georgia 30602"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Chemistry, University of Georgia, Athens, Georgia 30602","institution_ids":["https://openalex.org/I165733156"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5100384223","display_name":"Yimin Wang","orcid":"https://orcid.org/0000-0002-3210-2330","observed_orcids":["https://orcid.org/0000-0002-3210-2330"]},"institutions":[{"id":"https://openalex.org/I150468666","display_name":"Emory University","ror":"https://ror.org/03czfpz43","country_code":"US","type":"education","lineage":["https://openalex.org/I150468666"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Yimin Wang","raw_affiliation_strings":["Cherry L. Emerson Center for Scientific Computation and Department of Chemistry, Emory University, Atlanta, Georgia 30322"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Cherry L. Emerson Center for Scientific Computation and Department of Chemistry, Emory University, Atlanta, Georgia 30322","institution_ids":["https://openalex.org/I150468666"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5058020426","display_name":"Stuart D. Carter","orcid":"https://orcid.org/0000-0002-3585-9400","observed_orcids":["https://orcid.org/0000-0002-3585-9400"]},"institutions":[{"id":"https://openalex.org/I150468666","display_name":"Emory University","ror":"https://ror.org/03czfpz43","country_code":"US","type":"education","lineage":["https://openalex.org/I150468666"]},{"id":"https://openalex.org/I71052956","display_name":"University of Reading","ror":"https://ror.org/05v62cm79","country_code":"GB","type":"education","lineage":["https://openalex.org/I71052956"]}],"countries":["GB","US"],"is_corresponding":false,"raw_author_name":"Stuart Carter","raw_affiliation_strings":["Cherry L. Emerson Center for Scientific Computation and Department of Chemistry, Emory University, Atlanta, Georgia 30322","Department of Chemistry, University of Reading RG6 2AD, England"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Cherry L. Emerson Center for Scientific Computation and Department of Chemistry, Emory University, Atlanta, Georgia 30322","institution_ids":["https://openalex.org/I150468666"]},{"raw_affiliation_string":"Department of Chemistry, University of Reading RG6 2AD, England","institution_ids":["https://openalex.org/I71052956"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5061582214","display_name":"Bastiaan J. Braams","orcid":"https://orcid.org/0000-0003-4086-9969","observed_orcids":["https://orcid.org/0000-0003-4086-9969"]},"institutions":[{"id":"https://openalex.org/I150468666","display_name":"Emory University","ror":"https://ror.org/03czfpz43","country_code":"US","type":"education","lineage":["https://openalex.org/I150468666"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Bastiaan J. Braams","raw_affiliation_strings":["Cherry L. Emerson Center for Scientific Computation and Department of Chemistry, Emory University, Atlanta, Georgia 30322"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Cherry L. Emerson Center for Scientific Computation and Department of Chemistry, Emory University, Atlanta, Georgia 30322","institution_ids":["https://openalex.org/I150468666"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5064654490","display_name":"Joel M. Bowman","orcid":"https://orcid.org/0000-0001-9692-2672","observed_orcids":["https://orcid.org/0000-0001-9692-2672"]},"institutions":[{"id":"https://openalex.org/I150468666","display_name":"Emory University","ror":"https://ror.org/03czfpz43","country_code":"US","type":"education","lineage":["https://openalex.org/I150468666"]}],"countries":["US"],"is_corresponding":true,"raw_author_name":"Joel M. Bowman","raw_affiliation_strings":["Cherry L. Emerson Center for Scientific Computation and Department of Chemistry, Emory University, Atlanta, Georgia 30322"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Cherry L. Emerson Center for Scientific Computation and Department of Chemistry, Emory University, Atlanta, Georgia 30322","institution_ids":["https://openalex.org/I150468666"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5025449262","display_name":"Michael A. Duncan","orcid":"https://orcid.org/0000-0003-4836-106X","observed_orcids":["https://orcid.org/0000-0003-4836-106X"]},"institutions":[{"id":"https://openalex.org/I165733156","display_name":"University of Georgia","ror":"https://ror.org/00te3t702","country_code":"US","type":"education","lineage":["https://openalex.org/I165733156"]}],"countries":["US"],"is_corresponding":true,"raw_author_name":"Michael A. Duncan","raw_affiliation_strings":["Department of Chemistry, University of Georgia, Athens, Georgia 30602"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Chemistry, University of Georgia, Athens, Georgia 30602","institution_ids":["https://openalex.org/I165733156"]}]}],"institutions":[],"countries_distinct_count":2,"institutions_distinct_count":3,"corresponding_author_ids":["https://openalex.org/A5025449262","https://openalex.org/A5064654490"],"corresponding_institution_ids":["https://openalex.org/I150468666","https://openalex.org/I165733156"],"apc_list":{"value":4500,"currency":"USD","value_usd":4500},"apc_paid":null,"fwci":4.1704,"has_fulltext":false,"cited_by_count":56,"citation_normalized_percentile":{"value":0.95163981,"is_in_top_1_percent":false,"is_in_top_10_percent":true},"cited_by_percentile_year":{"min":87,"max":99},"biblio":{"volume":"1","issue":"4","first_page":"758","last_page":"762"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T11177","display_name":"Spectroscopy and Quantum Chemical Studies","score":0.43700000643730164,"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/T11177","display_name":"Spectroscopy and Quantum Chemical Studies","score":0.43700000643730164,"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":0.22789999842643738,"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/T12967","display_name":"Molecular Spectroscopy and Structure","score":0.19300000369548798,"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"}}],"keywords":[{"id":"https://openalex.org/keywords/deuterium-fractionation","display_name":"deuterium fractionation","score":0.8370000123977661},{"id":"https://openalex.org/keywords/interstellar-medium","display_name":"interstellar medium","score":0.9309999942779541},{"id":"https://openalex.org/keywords/infrared-spectra","display_name":"infrared spectra","score":0.7229999899864197},{"id":"https://openalex.org/keywords/vibrational-predissociation","display_name":"vibrational predissociation","score":0.753000020980835},{"id":"https://openalex.org/keywords/vibrational-anharmonicity","display_name":"anharmonic vibrations","score":0.5580000281333923},{"id":"https://openalex.org/keywords/far-infrared-spectroscopy","display_name":"far-infrared spectroscopy","score":0.7599999904632568},{"id":"https://openalex.org/keywords/potential-energy-surface","display_name":"potential energy surface","score":0.6650000214576721},{"id":"https://openalex.org/keywords/dipole-moment-surface","display_name":"dipole moment surface","score":0.9300000071525574},{"id":"https://openalex.org/keywords/photodissociation-spectroscopy","display_name":"photodissociation spectroscopy","score":0.9160000085830688}],"concepts":[{"id":"https://openalex.org/C13934619","wikidata":"https://www.wikidata.org/wiki/Q2198720","display_name":"Isotopologue","level":3,"score":0.7310458421707153},{"id":"https://openalex.org/C147724859","wikidata":"https://www.wikidata.org/wiki/Q545228","display_name":"Anharmonicity","level":2,"score":0.6823554635047913},{"id":"https://openalex.org/C184779094","wikidata":"https://www.wikidata.org/wiki/Q26383","display_name":"Atomic physics","level":1,"score":0.6504223346710205},{"id":"https://openalex.org/C153642686","wikidata":"https://www.wikidata.org/wiki/Q70906","display_name":"Infrared spectroscopy","level":2,"score":0.632095456123352},{"id":"https://openalex.org/C158355884","wikidata":"https://www.wikidata.org/wiki/Q11388","display_name":"Infrared","level":2,"score":0.6077718138694763},{"id":"https://openalex.org/C70050531","wikidata":"https://www.wikidata.org/wiki/Q899089","display_name":"Delocalized electron","level":2,"score":0.5588915348052979},{"id":"https://openalex.org/C4839761","wikidata":"https://www.wikidata.org/wiki/Q212111","display_name":"Spectral line","level":2,"score":0.5523048639297485},{"id":"https://openalex.org/C58364064","wikidata":"https://www.wikidata.org/wiki/Q102296","display_name":"Deuterium","level":2,"score":0.5497123599052429},{"id":"https://openalex.org/C145148216","wikidata":"https://www.wikidata.org/wiki/Q36496","display_name":"Ion","level":2,"score":0.5463042259216309},{"id":"https://openalex.org/C54516573","wikidata":"https://www.wikidata.org/wiki/Q2294","display_name":"Proton","level":2,"score":0.5031961798667908},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.4880460500717163},{"id":"https://openalex.org/C32891209","wikidata":"https://www.wikidata.org/wiki/Q483666","display_name":"Spectroscopy","level":2,"score":0.47398415207862854},{"id":"https://openalex.org/C125277925","wikidata":"https://www.wikidata.org/wiki/Q2572687","display_name":"Potential energy surface","level":3,"score":0.4434683918952942},{"id":"https://openalex.org/C173523689","wikidata":"https://www.wikidata.org/wiki/Q215589","display_name":"Dipole","level":2,"score":0.44033390283584595},{"id":"https://openalex.org/C522602180","wikidata":"https://www.wikidata.org/wiki/Q654","display_name":"Neon","level":3,"score":0.4134487211704254},{"id":"https://openalex.org/C2781442258","wikidata":"https://www.wikidata.org/wiki/Q46310","display_name":"Ab initio","level":2,"score":0.3937421441078186},{"id":"https://openalex.org/C121332964","wikidata":"https://www.wikidata.org/wiki/Q413","display_name":"Physics","level":0,"score":0.35359060764312744},{"id":"https://openalex.org/C547737533","wikidata":"https://www.wikidata.org/wiki/Q696","display_name":"Argon","level":2,"score":0.185244619846344},{"id":"https://openalex.org/C120665830","wikidata":"https://www.wikidata.org/wiki/Q14620","display_name":"Optics","level":1,"score":0.07802820205688477},{"id":"https://openalex.org/C178790620","wikidata":"https://www.wikidata.org/wiki/Q11351","display_name":"Organic chemistry","level":1,"score":0.0},{"id":"https://openalex.org/C62520636","wikidata":"https://www.wikidata.org/wiki/Q944","display_name":"Quantum mechanics","level":1,"score":0.0},{"id":"https://openalex.org/C1276947","wikidata":"https://www.wikidata.org/wiki/Q333","display_name":"Astronomy","level":1,"score":0.0}],"mesh":[],"locations_count":1,"locations":[{"id":"doi:10.1021/jz100048v","doi":"https://doi.org/10.1021/jz100048v","is_oa":false,"landing_page_url":"https://doi.org/10.1021/jz100048v","pdf_url":null,"source":{"id":"https://openalex.org/S123480357","display_name":"The Journal of Physical Chemistry Letters","issn_l":"1948-7185","issn":["1948-7185"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["cwts-core","dongbi-a","jufo-3","ki-jl-1","medline","norway-1","poland-200","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 Physical Chemistry Letters","raw_type":"journal-article"}],"best_oa_location":null,"sustainable_development_goals":[],"study_designs":[],"awards":[],"funders":[{"id":"https://openalex.org/F4320306076","display_name":"National Science Foundation","ror":"https://ror.org/021nxhr62"}],"has_content":{"pdf":false,"grobid_xml":false},"content_urls":null,"referenced_works_count":26,"referenced_works":["https://openalex.org/W1532427289","https://openalex.org/W1574015442","https://openalex.org/W1602168451","https://openalex.org/W1609602672","https://openalex.org/W1655080666","https://openalex.org/W1973261199","https://openalex.org/W1977287286","https://openalex.org/W1983075444","https://openalex.org/W1986720324","https://openalex.org/W1990592748","https://openalex.org/W2011218651","https://openalex.org/W2012745039","https://openalex.org/W2013416944","https://openalex.org/W2025520081","https://openalex.org/W2026109388","https://openalex.org/W2035375258","https://openalex.org/W2042160935","https://openalex.org/W2047911108","https://openalex.org/W2061620672","https://openalex.org/W2062791896","https://openalex.org/W2069767395","https://openalex.org/W2071962952","https://openalex.org/W2072352968","https://openalex.org/W2102157122","https://openalex.org/W2226430642","https://openalex.org/W2402831836"],"related_works":["https://openalex.org/W2092838275","https://openalex.org/W1972290298","https://openalex.org/W4403717086","https://openalex.org/W1982182117","https://openalex.org/W2005362971","https://openalex.org/W2507804906","https://openalex.org/W7019942991","https://openalex.org/W2003108019","https://openalex.org/W1530294799","https://openalex.org/W2316283074"],"abstract_inverted_index":{"We":[0],"report":[1],"experimental":[2,118],"and":[3,15,31,54,92,98,109,130],"calculated":[4,81,140],"infrared":[5],"spectra":[6,82,119],"of":[7,85,116,124,135,157],"the":[8,28,38,60,117,125,136,149],"highly":[9],"fluxional":[10],"cations":[11,21],"H":[12],"5":[13,17],"+":[14,18],"D":[16],".":[19],"These":[20],"have":[22],"been":[23],"postulated":[24],"to":[25,32],"exist":[26],"in":[27,37,46,59,148],"interstellar":[29],"medium":[30],"play":[33],"a":[34,47,93,121,132],"central":[35],"role":[36],"deuterium":[39],"fractionation.":[40],"The":[41,80,113],"experiments":[42],"produce":[43],"these":[44,158],"ions":[45],"pulsed":[48],"discharge":[49],"supersonic":[50],"nozzle":[51],"ion":[52],"source":[53],"utilize":[55],"mass-selected":[56],"photodissociation":[57],"spectroscopy":[58],"2000\u22124500":[61],"cm":[62],"\u22121":[63],"region.":[64],"Vibrational":[65],"bands":[66],"apparently":[67],"broadened":[68],"by":[69],"rapid":[70],"predissociation":[71],"are":[72,99],"detected":[73],"throughout":[74],"this":[75,146],"region":[76,151],"for":[77],"both":[78],"isotopologues.":[79],"make":[83],"use":[84],"an":[86],"ab":[87],"initio":[88],"potential":[89],"energy":[90],"surface":[91,97],"new":[94],"dipole":[95],"moment":[96],"based":[100],"on":[101],"results":[102],"from":[103],"fixed-node":[104],"quantum":[105],"diffusion":[106],"Monte":[107],"Carlo":[108],"variational":[110],"vibrational":[111],"calculations.":[112],"successful":[114],"assignment":[115],"requires":[120],"proper":[122],"treatment":[123],"delocalized":[126],"anharmonic":[127],"shared-proton":[128],"mode":[129,147],"indicates":[131],"major":[133],"breakdown":[134],"harmonic":[137],"approximation.":[138],"Several":[139],"intense":[141],"spectral":[142],"features":[143],"associated":[144],"with":[145],"far-infrared":[150],"could":[152],"guide":[153],"future":[154],"observational":[155],"searches":[156],"cations.":[159]},"counts_by_year":[{"year":2026,"cited_by_count":2},{"year":2024,"cited_by_count":2},{"year":2023,"cited_by_count":1},{"year":2021,"cited_by_count":1},{"year":2020,"cited_by_count":4},{"year":2019,"cited_by_count":3},{"year":2018,"cited_by_count":3},{"year":2017,"cited_by_count":2},{"year":2016,"cited_by_count":3},{"year":2015,"cited_by_count":4},{"year":2014,"cited_by_count":4},{"year":2013,"cited_by_count":11},{"year":2012,"cited_by_count":9}],"updated_date":"2026-10-30T12:39:25.321706","created_date":"2016-06-24T00:00:00"}
