{"id":"https://openalex.org/W4367175167","doi":"https://doi.org/10.1063/5.0147328","title":"The effect of energy level degeneracy on symmetry-breaking charge transfer: Excited octupolar dyes","display_name":"The effect of energy level degeneracy on symmetry-breaking charge transfer: Excited octupolar dyes","publication_year":2023,"publication_date":"2023-04-24","ids":{"openalex":"https://openalex.org/W4367175167","doi":"https://doi.org/10.1063/5.0147328","pmid":"https://pubmed.ncbi.nlm.nih.gov/37102445"},"language":"en","primary_location":{"id":"doi:10.1063/5.0147328","doi":"https://doi.org/10.1063/5.0147328","is_oa":false,"landing_page_url":"https://doi.org/10.1063/5.0147328","pdf_url":null,"source":{"id":"https://openalex.org/S77047749","display_name":"The Journal of Chemical Physics","issn_l":"0021-9606","issn":["0021-9606","1089-7690","1520-9032"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["anvur-scientific","cwts-core","dongbi-b","jufo-1","ki-jl-1","medline","norway-1","poland-100","russia-white-list-2","vabb-shw"],"host_organization":"https://openalex.org/P4310320257","host_organization_name":"American Institute of Physics","host_organization_lineage":["https://openalex.org/P4310320257"],"host_organization_lineage_names":["American Institute of Physics"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"The Journal of Chemical Physics","raw_type":"journal-article"},"volume":null,"type":"article","is_traditional":true,"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/A5024888216","display_name":"Nikolay B. Siplivy","orcid":"https://orcid.org/0000-0001-5237-0829","observed_orcids":["https://orcid.org/0000-0001-5237-0829"]},"institutions":[{"id":"https://openalex.org/I65322002","display_name":"Volgograd State University","ror":"https://ror.org/0093wrd09","country_code":"RU","type":"education","lineage":["https://openalex.org/I65322002"]}],"countries":["RU"],"is_corresponding":false,"raw_author_name":"Nikolay B. Siplivy","raw_affiliation_strings":["Volgograd State University , University Avenue 100, Volgograd 400062, Russia"],"raw_orcid":"https://orcid.org/0000-0001-5237-0829","affiliations":[{"raw_affiliation_string":"Volgograd State University , University Avenue 100, Volgograd 400062, Russia","institution_ids":["https://openalex.org/I65322002"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5006198294","display_name":"Anatoly I. Ivanov","orcid":"https://orcid.org/0000-0002-4420-5863","observed_orcids":["https://orcid.org/0000-0002-4420-5863"]},"institutions":[{"id":"https://openalex.org/I65322002","display_name":"Volgograd State University","ror":"https://ror.org/0093wrd09","country_code":"RU","type":"education","lineage":["https://openalex.org/I65322002"]}],"countries":["RU"],"is_corresponding":false,"raw_author_name":"Anatoly I. Ivanov","raw_affiliation_strings":["Volgograd State University , University Avenue 100, Volgograd 400062, Russia"],"raw_orcid":"https://orcid.org/0000-0002-4420-5863","affiliations":[{"raw_affiliation_string":"Volgograd State University , University Avenue 100, Volgograd 400062, Russia","institution_ids":["https://openalex.org/I65322002"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":1,"corresponding_author_ids":[],"corresponding_institution_ids":["https://openalex.org/I65322002"],"apc_list":{"value":3500,"currency":"USD","value_usd":3500},"apc_paid":null,"fwci":1.4806,"has_fulltext":false,"cited_by_count":15,"citation_normalized_percentile":{"value":0.79758661,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":88,"max":98},"biblio":{"volume":"158","issue":"16","first_page":null,"last_page":null},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T11129","display_name":"Photochemistry and Electron Transfer Studies","score":0.98580002784729,"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"}},"topics":[{"id":"https://openalex.org/T11129","display_name":"Photochemistry and Electron Transfer Studies","score":0.98580002784729,"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/T11177","display_name":"Spectroscopy and Quantum Chemical Studies","score":0.011900000274181366,"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/T11025","display_name":"Nonlinear Optical Materials Research","score":0.0005000000237487257,"subfield":{"id":"https://openalex.org/subfields/2504","display_name":"Electronic, Optical and Magnetic Materials"},"field":{"id":"https://openalex.org/fields/25","display_name":"Materials Science"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/solvent-dynamics","display_name":"solvent dynamics","score":0.5120000243186951},{"id":"https://openalex.org/keywords/reaction-coordinate","display_name":"reaction coordinate","score":0.8429999947547913},{"id":"https://openalex.org/keywords/free-energy-landscape","display_name":"free energy landscape","score":0.843999981880188},{"id":"https://openalex.org/keywords/solvent-polarity-effects","display_name":"solvent polarity effects","score":0.7229999899864197},{"id":"https://openalex.org/keywords/stokes-shift","display_name":"Stokes shift","score":0.890999972820282},{"id":"https://openalex.org/keywords/orientational-polarization","display_name":"orientational polarization","score":0.7839999794960022},{"id":"https://openalex.org/keywords/three-level-model","display_name":"three-level model","score":0.7519999742507935}],"concepts":[{"id":"https://openalex.org/C181500209","wikidata":"https://www.wikidata.org/wiki/Q215328","display_name":"Excited state","level":2,"score":0.8500504493713379},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.7225107550621033},{"id":"https://openalex.org/C173523689","wikidata":"https://www.wikidata.org/wiki/Q215589","display_name":"Dipole","level":2,"score":0.7086175680160522},{"id":"https://openalex.org/C204795200","wikidata":"https://www.wikidata.org/wiki/Q903282","display_name":"Symmetry breaking","level":2,"score":0.651086688041687},{"id":"https://openalex.org/C2777727622","wikidata":"https://www.wikidata.org/wiki/Q5251772","display_name":"Degeneracy (biology)","level":2,"score":0.5422168970108032},{"id":"https://openalex.org/C41999313","wikidata":"https://www.wikidata.org/wiki/Q489328","display_name":"Molecular physics","level":1,"score":0.4831402003765106},{"id":"https://openalex.org/C132439834","wikidata":"https://www.wikidata.org/wiki/Q7559035","display_name":"Solvent effects","level":3,"score":0.45853692293167114},{"id":"https://openalex.org/C2779886137","wikidata":"https://www.wikidata.org/wiki/Q21030012","display_name":"Symmetry (geometry)","level":2,"score":0.4451241195201874},{"id":"https://openalex.org/C18553476","wikidata":"https://www.wikidata.org/wiki/Q1076414","display_name":"Reaction coordinate","level":2,"score":0.42741984128952026},{"id":"https://openalex.org/C184779094","wikidata":"https://www.wikidata.org/wiki/Q26383","display_name":"Atomic physics","level":1,"score":0.426278680562973},{"id":"https://openalex.org/C205049153","wikidata":"https://www.wikidata.org/wiki/Q2698605","display_name":"Polarization (electrochemistry)","level":2,"score":0.4141082465648651},{"id":"https://openalex.org/C159467904","wikidata":"https://www.wikidata.org/wiki/Q2001702","display_name":"Chemical physics","level":1,"score":0.3490530550479889},{"id":"https://openalex.org/C147597530","wikidata":"https://www.wikidata.org/wiki/Q369472","display_name":"Computational chemistry","level":1,"score":0.3351927101612091},{"id":"https://openalex.org/C2780471494","wikidata":"https://www.wikidata.org/wiki/Q146505","display_name":"Solvent","level":2,"score":0.31483277678489685},{"id":"https://openalex.org/C121332964","wikidata":"https://www.wikidata.org/wiki/Q413","display_name":"Physics","level":0,"score":0.2591131925582886},{"id":"https://openalex.org/C62520636","wikidata":"https://www.wikidata.org/wiki/Q944","display_name":"Quantum mechanics","level":1,"score":0.24203237891197205},{"id":"https://openalex.org/C147789679","wikidata":"https://www.wikidata.org/wiki/Q11372","display_name":"Physical chemistry","level":1,"score":0.14620816707611084},{"id":"https://openalex.org/C33923547","wikidata":"https://www.wikidata.org/wiki/Q395","display_name":"Mathematics","level":0,"score":0.0},{"id":"https://openalex.org/C2524010","wikidata":"https://www.wikidata.org/wiki/Q8087","display_name":"Geometry","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},{"id":"https://openalex.org/C60644358","wikidata":"https://www.wikidata.org/wiki/Q128570","display_name":"Bioinformatics","level":1,"score":0.0},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.0}],"mesh":[],"locations_count":2,"locations":[{"id":"doi:10.1063/5.0147328","doi":"https://doi.org/10.1063/5.0147328","is_oa":false,"landing_page_url":"https://doi.org/10.1063/5.0147328","pdf_url":null,"source":{"id":"https://openalex.org/S77047749","display_name":"The Journal of Chemical Physics","issn_l":"0021-9606","issn":["0021-9606","1089-7690","1520-9032"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["anvur-scientific","cwts-core","dongbi-b","jufo-1","ki-jl-1","medline","norway-1","poland-100","russia-white-list-2","vabb-shw"],"host_organization":"https://openalex.org/P4310320257","host_organization_name":"American Institute of Physics","host_organization_lineage":["https://openalex.org/P4310320257"],"host_organization_lineage_names":["American Institute of Physics"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"The Journal of Chemical Physics","raw_type":"journal-article"},{"id":"pmid:37102445","doi":null,"is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/37102445","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 chemical physics","raw_type":"Journal Article"}],"best_oa_location":null,"sustainable_development_goals":[],"study_designs":[],"awards":[{"id":"https://openalex.org/G3123558171","display_name":null,"funder_award_id":"22-13-00180","funder_id":"https://openalex.org/F4320324099","funder_display_name":"Russian Science Foundation"}],"funders":[{"id":"https://openalex.org/F4320324099","display_name":"Russian Science Foundation","ror":"https://ror.org/03y2gwe85"}],"has_content":{"grobid_xml":false,"pdf":false},"content_urls":null,"referenced_works_count":71,"referenced_works":["https://openalex.org/W28230416","https://openalex.org/W1587145931","https://openalex.org/W1828494211","https://openalex.org/W1890860499","https://openalex.org/W1970163143","https://openalex.org/W1973162603","https://openalex.org/W1979022843","https://openalex.org/W1982802198","https://openalex.org/W1990158093","https://openalex.org/W1990547178","https://openalex.org/W1991262047","https://openalex.org/W1992574762","https://openalex.org/W1995997812","https://openalex.org/W2003741478","https://openalex.org/W2016293814","https://openalex.org/W2018358805","https://openalex.org/W2028449146","https://openalex.org/W2033462511","https://openalex.org/W2037902451","https://openalex.org/W2038773912","https://openalex.org/W2039790016","https://openalex.org/W2051561012","https://openalex.org/W2054947925","https://openalex.org/W2057514431","https://openalex.org/W2060480815","https://openalex.org/W2065589473","https://openalex.org/W2066397356","https://openalex.org/W2070970172","https://openalex.org/W2078235693","https://openalex.org/W2082636532","https://openalex.org/W2095024208","https://openalex.org/W2101928321","https://openalex.org/W2105184358","https://openalex.org/W2109025246","https://openalex.org/W2126916397","https://openalex.org/W2129855520","https://openalex.org/W2143344985","https://openalex.org/W2146406469","https://openalex.org/W2157714571","https://openalex.org/W2165609634","https://openalex.org/W2171598914","https://openalex.org/W2309283660","https://openalex.org/W2326203395","https://openalex.org/W2524334227","https://openalex.org/W2555693004","https://openalex.org/W2556676875","https://openalex.org/W2608275300","https://openalex.org/W2743537816","https://openalex.org/W2767180836","https://openalex.org/W2771690556","https://openalex.org/W2779021046","https://openalex.org/W2887549040","https://openalex.org/W2900626202","https://openalex.org/W2903655585","https://openalex.org/W2936701987","https://openalex.org/W2975499913","https://openalex.org/W2986846689","https://openalex.org/W3000452261","https://openalex.org/W3016292380","https://openalex.org/W3034488214","https://openalex.org/W3037808447","https://openalex.org/W3047836128","https://openalex.org/W3103440973","https://openalex.org/W3113046662","https://openalex.org/W3195514647","https://openalex.org/W4200538109","https://openalex.org/W4229373737","https://openalex.org/W4280629182","https://openalex.org/W4307970025","https://openalex.org/W4309047978","https://openalex.org/W4311397318"],"related_works":["https://openalex.org/W4396958493","https://openalex.org/W2924227224","https://openalex.org/W4391520789","https://openalex.org/W2608275300","https://openalex.org/W7147361295","https://openalex.org/W2975499913","https://openalex.org/W4416168963","https://openalex.org/W4390796250","https://openalex.org/W1995997812","https://openalex.org/W2995031920"],"abstract_inverted_index":{"A":[0,52],"three-level":[1],"model":[2,15,91],"of":[3,20,38,47,55,74,95,130,136,140,155,162,165,183,200,205],"symmetry-breaking":[4,82,196],"charge":[5],"transfer":[6],"(SBCT)":[7],"in":[8,26,35,71,97,104,112,171,174,194],"excited":[9,28,166,176],"octupolar":[10,172],"molecules":[11],"is":[12,42,50,59,77,88,120,169,180,186,212],"developed.":[13],"The":[14,67,90,116,148,160,198],"describes":[16],"the":[17,21,24,27,36,56,72,81,93,109,131,134,137,141,151,163,175,195,203,206,209,217],"joint":[18],"dynamics":[19],"solvent":[22,142,210],"and":[23,61,100,133,153,214],"dye":[25,117],"state.":[29],"For":[30],"this,":[31],"a":[32,84,126,191],"distribution":[33],"function":[34,49],"space":[37,73],"two":[39],"reaction":[40,57],"coordinates":[41,58,76],"introduced.":[43,89],"An":[44],"evolution":[45],"equation":[46],"this":[48,156],"derived.":[51],"strict":[53],"definition":[54],"given,":[60],"its":[62,105,145],"dynamic":[63],"characteristics":[64],"are":[65,158],"determined.":[66],"free":[68],"energy":[69,184],"surface":[70],"these":[75],"calculated.":[78],"To":[79],"quantify":[80],"degree,":[83],"two-dimensional":[85],"dissymmetry":[86],"vector":[87],"predicts":[92],"absence":[94],"SBCT":[96,179,201],"apolar":[98],"solvents":[99],"an":[101],"abrupt":[102],"increase":[103,193],"degree":[106],"to":[107,122,188,190],"half":[108],"maximum":[110],"value":[111],"weakly":[113],"polar":[114],"solvents.":[115],"dipole":[118],"moment":[119],"revealed":[121],"be":[123],"directed":[124],"along":[125],"molecular":[127],"arm":[128],"independently":[129],"direction":[132],"strength":[135],"electric":[138],"field":[139],"created":[143],"by":[144],"orientational":[146],"polarization.":[147],"conditions":[149],"for":[150],"occurrence":[152],"nature":[154],"effect":[157,161,199],"discussed.":[159],"degeneracy":[164],"states,":[167],"which":[168],"inherent":[170],"dyes":[173],"state,":[177],"on":[178,202,208],"revealed.":[181],"Degeneracy":[182],"levels":[185],"shown":[187],"lead":[189],"significant":[192],"degree.":[197],"dependence":[204],"Stokes":[207],"polarity":[211],"calculated":[213],"compared":[215],"with":[216],"available":[218],"experimental":[219],"data.":[220]},"counts_by_year":[{"year":2026,"cited_by_count":4},{"year":2025,"cited_by_count":5},{"year":2024,"cited_by_count":5},{"year":2023,"cited_by_count":1}],"updated_date":"2026-09-22T06:50:58.402377","created_date":"2023-04-28T00:00:00"}
