{"id":"https://openalex.org/W7207763288","doi":"https://doi.org/10.26434/chemrxiv.15008222/v1","title":"Valence Delocalization in Trithorium Clusters Identified via Valence-to-Core Resonant Inelastic X-ray Scattering","display_name":"Valence Delocalization in Trithorium Clusters Identified via Valence-to-Core Resonant Inelastic X-ray Scattering","publication_year":2026,"publication_date":"2026-09-02","ids":{"openalex":"https://openalex.org/W7207763288","doi":"https://doi.org/10.26434/chemrxiv.15008222/v1"},"language":"en","primary_location":{"id":"doi:10.26434/chemrxiv.15008222/v1","doi":"https://doi.org/10.26434/chemrxiv.15008222/v1","is_oa":true,"landing_page_url":"https://doi.org/10.26434/chemrxiv.15008222/v1","pdf_url":"https://chemrxiv.org/doi/pdf/10.26434/chemrxiv.15008222/v1","source":{"id":"https://openalex.org/S4393918830","display_name":"ChemRxiv","issn_l":"2573-2293","issn":["2573-2293"],"is_oa":false,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":null,"host_organization_name":null,"host_organization_lineage":[],"host_organization_lineage_names":[],"type":"repository"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"acceptedVersion","is_accepted":true,"is_published":false,"raw_source_name":null,"raw_type":"posted-content"},"volume":null,"type":"preprint","is_traditional":true,"indexed_in":["crossref"],"open_access":{"is_oa":true,"oa_status":"green","oa_url":"https://chemrxiv.org/doi/pdf/10.26434/chemrxiv.15008222/v1","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5137858781","display_name":"Charles P. Moir","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I28407311","display_name":"University of Manchester","ror":"https://ror.org/027m9bs27","country_code":"GB","type":"education","lineage":["https://openalex.org/I28407311"]}],"countries":["GB"],"is_corresponding":false,"raw_author_name":"Charles P. Moir","raw_affiliation_strings":["Centre for Radiochemistry Research, University of Manchester, Oxford Road, Manchester, UK, M13 9PL","Department of Chemistry","University of Manchester","University of Manchester at Harwell"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Centre for Radiochemistry Research, University of Manchester, Oxford Road, Manchester, UK, M13 9PL","institution_ids":["https://openalex.org/I28407311"]},{"raw_affiliation_string":"Department of Chemistry","institution_ids":[]},{"raw_affiliation_string":"University of Manchester","institution_ids":["https://openalex.org/I28407311"]},{"raw_affiliation_string":"University of Manchester at Harwell","institution_ids":["https://openalex.org/I28407311"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5049697410","display_name":"Josef Tome\u010dek","orcid":"https://orcid.org/0000-0001-9801-7393","observed_orcids":["https://orcid.org/0000-0001-9801-7393"]},"institutions":[{"id":"https://openalex.org/I28407311","display_name":"University of Manchester","ror":"https://ror.org/027m9bs27","country_code":"GB","type":"education","lineage":["https://openalex.org/I28407311"]}],"countries":["GB"],"is_corresponding":false,"raw_author_name":"Josef Tomec\u030cek","raw_affiliation_strings":["Centre for Radiochemistry Research, University of Manchester, Oxford Road, Manchester, UK, M13 9PL","Department of Chemistry","University of Manchester"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Centre for Radiochemistry Research, University of Manchester, Oxford Road, Manchester, UK, M13 9PL","institution_ids":["https://openalex.org/I28407311"]},{"raw_affiliation_string":"Department of Chemistry","institution_ids":[]},{"raw_affiliation_string":"University of Manchester","institution_ids":["https://openalex.org/I28407311"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5078523346","display_name":"Nathan M. Alcock","orcid":"https://orcid.org/0000-0002-6268-3615","observed_orcids":["https://orcid.org/0000-0002-6268-3615"]},"institutions":[{"id":"https://openalex.org/I28407311","display_name":"University of Manchester","ror":"https://ror.org/027m9bs27","country_code":"GB","type":"education","lineage":["https://openalex.org/I28407311"]}],"countries":["GB"],"is_corresponding":false,"raw_author_name":"Nathan M. Alcock","raw_affiliation_strings":["Centre for Radiochemistry Research, University of Manchester, Oxford Road, Manchester, UK, M13 9PL","Department of Chemistry","University of Manchester","University of Manchester at Harwell"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Centre for Radiochemistry Research, University of Manchester, Oxford Road, Manchester, UK, M13 9PL","institution_ids":["https://openalex.org/I28407311"]},{"raw_affiliation_string":"Department of Chemistry","institution_ids":[]},{"raw_affiliation_string":"University of Manchester","institution_ids":["https://openalex.org/I28407311"]},{"raw_affiliation_string":"University of Manchester at Harwell","institution_ids":["https://openalex.org/I28407311"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5086730440","display_name":"John A. Seed","orcid":"https://orcid.org/0000-0002-3751-0325","observed_orcids":["https://orcid.org/0000-0002-3751-0325"]},"institutions":[{"id":"https://openalex.org/I28407311","display_name":"University of Manchester","ror":"https://ror.org/027m9bs27","country_code":"GB","type":"education","lineage":["https://openalex.org/I28407311"]}],"countries":["GB"],"is_corresponding":false,"raw_author_name":"John A. Seed","raw_affiliation_strings":["Centre for Radiochemistry Research, University of Manchester, Oxford Road, Manchester, UK, M13 9PL","Department of Chemistry","University of Manchester"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Centre for Radiochemistry Research, University of Manchester, Oxford Road, Manchester, UK, M13 9PL","institution_ids":["https://openalex.org/I28407311"]},{"raw_affiliation_string":"Department of Chemistry","institution_ids":[]},{"raw_affiliation_string":"University of Manchester","institution_ids":["https://openalex.org/I28407311"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5012235820","display_name":"Xinglan Deng","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I28407311","display_name":"University of Manchester","ror":"https://ror.org/027m9bs27","country_code":"GB","type":"education","lineage":["https://openalex.org/I28407311"]}],"countries":["GB"],"is_corresponding":false,"raw_author_name":"Xinglan Deng","raw_affiliation_strings":["Centre for Radiochemistry Research, University of Manchester, Oxford Road, Manchester, UK, M13 9PL","Department of Chemistry","University of Manchester"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Centre for Radiochemistry Research, University of Manchester, Oxford Road, Manchester, UK, M13 9PL","institution_ids":["https://openalex.org/I28407311"]},{"raw_affiliation_string":"Department of Chemistry","institution_ids":[]},{"raw_affiliation_string":"University of Manchester","institution_ids":["https://openalex.org/I28407311"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5137880334","display_name":"Zhibo Qi","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I28407311","display_name":"University of Manchester","ror":"https://ror.org/027m9bs27","country_code":"GB","type":"education","lineage":["https://openalex.org/I28407311"]},{"id":"https://openalex.org/I4210092957","display_name":"Research Complex at Harwell","ror":"https://ror.org/00gqx0331","country_code":"GB","type":"facility","lineage":["https://openalex.org/I4210092957"]}],"countries":["GB"],"is_corresponding":false,"raw_author_name":"Zhibo Qi","raw_affiliation_strings":["Centre for Radiochemistry Research, University of Manchester, Oxford Road, Manchester, UK, M13 9PL","Department of Chemistry","Harwell Science and Innovation Campus","University of Manchester","University of Manchester at Harwell"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Centre for Radiochemistry Research, University of Manchester, Oxford Road, Manchester, UK, M13 9PL","institution_ids":["https://openalex.org/I28407311"]},{"raw_affiliation_string":"Department of Chemistry","institution_ids":[]},{"raw_affiliation_string":"Harwell Science and Innovation Campus","institution_ids":["https://openalex.org/I4210092957"]},{"raw_affiliation_string":"University of Manchester","institution_ids":["https://openalex.org/I28407311"]},{"raw_affiliation_string":"University of Manchester at Harwell","institution_ids":["https://openalex.org/I28407311"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5014601397","display_name":"Myron S. Huzan","orcid":"https://orcid.org/0000-0002-6238-3735","observed_orcids":["https://orcid.org/0000-0002-6238-3735"]},"institutions":[{"id":"https://openalex.org/I28407311","display_name":"University of Manchester","ror":"https://ror.org/027m9bs27","country_code":"GB","type":"education","lineage":["https://openalex.org/I28407311"]}],"countries":["GB"],"is_corresponding":false,"raw_author_name":"Myron S. Huzan","raw_affiliation_strings":["Centre for Radiochemistry Research, University of Manchester, Oxford Road, Manchester, UK, M13 9PL","Department of Chemistry","University of Manchester","University of Manchester at Harwell"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Centre for Radiochemistry Research, University of Manchester, Oxford Road, Manchester, UK, M13 9PL","institution_ids":["https://openalex.org/I28407311"]},{"raw_affiliation_string":"Department of Chemistry","institution_ids":[]},{"raw_affiliation_string":"University of Manchester","institution_ids":["https://openalex.org/I28407311"]},{"raw_affiliation_string":"University of Manchester at Harwell","institution_ids":["https://openalex.org/I28407311"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5090631293","display_name":"Shusaku Hayama","orcid":"https://orcid.org/0009-0008-8382-6276","observed_orcids":["https://orcid.org/0009-0008-8382-6276"]},"institutions":[{"id":"https://openalex.org/I4210092957","display_name":"Research Complex at Harwell","ror":"https://ror.org/00gqx0331","country_code":"GB","type":"facility","lineage":["https://openalex.org/I4210092957"]}],"countries":["GB"],"is_corresponding":false,"raw_author_name":"Shusaku Hayama","raw_affiliation_strings":["Harwell Science and Innovation Campus"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Harwell Science and Innovation Campus","institution_ids":["https://openalex.org/I4210092957"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5086963679","display_name":"Stephen T. Liddle","orcid":"https://orcid.org/0000-0001-9911-8778","observed_orcids":["https://orcid.org/0000-0001-9911-8778"]},"institutions":[{"id":"https://openalex.org/I28407311","display_name":"University of Manchester","ror":"https://ror.org/027m9bs27","country_code":"GB","type":"education","lineage":["https://openalex.org/I28407311"]}],"countries":["GB"],"is_corresponding":false,"raw_author_name":"Stephen T. Liddle","raw_affiliation_strings":["Centre for Radiochemistry Research, University of Manchester, Oxford Road, Manchester, UK, M13 9PL","Department of Chemistry","University of Manchester"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Centre for Radiochemistry Research, University of Manchester, Oxford Road, Manchester, UK, M13 9PL","institution_ids":["https://openalex.org/I28407311"]},{"raw_affiliation_string":"Department of Chemistry","institution_ids":[]},{"raw_affiliation_string":"University of Manchester","institution_ids":["https://openalex.org/I28407311"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5084768095","display_name":"Nikolas Kaltsoyannis","orcid":"https://orcid.org/0000-0003-0293-5742","observed_orcids":["https://orcid.org/0000-0003-0293-5742"]},"institutions":[{"id":"https://openalex.org/I28407311","display_name":"University of Manchester","ror":"https://ror.org/027m9bs27","country_code":"GB","type":"education","lineage":["https://openalex.org/I28407311"]}],"countries":["GB"],"is_corresponding":false,"raw_author_name":"Nikolas Kaltsoyannis","raw_affiliation_strings":["Centre for Radiochemistry Research, University of Manchester, Oxford Road, Manchester, UK, M13 9PL","Department of Chemistry","University of Manchester"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Centre for Radiochemistry Research, University of Manchester, Oxford Road, Manchester, UK, M13 9PL","institution_ids":["https://openalex.org/I28407311"]},{"raw_affiliation_string":"Department of Chemistry","institution_ids":[]},{"raw_affiliation_string":"University of Manchester","institution_ids":["https://openalex.org/I28407311"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5089966037","display_name":"Michael Lloyd Baker","orcid":"https://orcid.org/0000-0002-8246-3177","observed_orcids":["https://orcid.org/0000-0002-8246-3177"]},"institutions":[{"id":"https://openalex.org/I28407311","display_name":"University of Manchester","ror":"https://ror.org/027m9bs27","country_code":"GB","type":"education","lineage":["https://openalex.org/I28407311"]}],"countries":["GB"],"is_corresponding":false,"raw_author_name":"Michael L. Baker","raw_affiliation_strings":["Centre for Radiochemistry Research, University of Manchester, Oxford Road, Manchester, UK, M13 9PL","Department of Chemistry","University of Manchester","University of Manchester at Harwell"],"raw_orcid":"https://orcid.org/0000-0002-8246-3177","affiliations":[{"raw_affiliation_string":"Centre for Radiochemistry Research, University of Manchester, Oxford Road, Manchester, UK, M13 9PL","institution_ids":["https://openalex.org/I28407311"]},{"raw_affiliation_string":"Department of Chemistry","institution_ids":[]},{"raw_affiliation_string":"University of Manchester","institution_ids":["https://openalex.org/I28407311"]},{"raw_affiliation_string":"University of Manchester at Harwell","institution_ids":["https://openalex.org/I28407311"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":2,"corresponding_author_ids":[],"corresponding_institution_ids":[],"apc_list":null,"apc_paid":null,"fwci":null,"has_fulltext":true,"cited_by_count":0,"citation_normalized_percentile":null,"cited_by_percentile_year":null,"biblio":{"volume":null,"issue":null,"first_page":null,"last_page":null},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T11733","display_name":"X-ray Spectroscopy and Fluorescence Analysis","score":0.8335000276565552,"subfield":{"id":"https://openalex.org/subfields/3108","display_name":"Radiation"},"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/T11733","display_name":"X-ray Spectroscopy and Fluorescence Analysis","score":0.8335000276565552,"subfield":{"id":"https://openalex.org/subfields/3108","display_name":"Radiation"},"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/T10973","display_name":"Radioactive element chemistry and processing","score":0.1574999988079071,"subfield":{"id":"https://openalex.org/subfields/1604","display_name":"Inorganic 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/T10681","display_name":"Rare-earth and actinide compounds","score":0.0013000000035390258,"subfield":{"id":"https://openalex.org/subfields/3104","display_name":"Condensed Matter Physics"},"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/valence-delocalization","display_name":"valence delocalization","score":0.9259999990463257},{"id":"https://openalex.org/keywords/three-center-bonding","display_name":"three-center bonding","score":0.671999990940094},{"id":"https://openalex.org/keywords/actinide-chemistry","display_name":"actinide chemistry","score":0.44200000166893005}],"concepts":[{"id":"https://openalex.org/C70050531","wikidata":"https://www.wikidata.org/wiki/Q899089","display_name":"Delocalized electron","level":2,"score":0.8657000064849854},{"id":"https://openalex.org/C142199849","wikidata":"https://www.wikidata.org/wiki/Q3027672","display_name":"Inelastic scattering","level":3,"score":0.5799999833106995},{"id":"https://openalex.org/C168900304","wikidata":"https://www.wikidata.org/wiki/Q171407","display_name":"Valence (chemistry)","level":2,"score":0.5753999948501587},{"id":"https://openalex.org/C184779094","wikidata":"https://www.wikidata.org/wiki/Q26383","display_name":"Atomic physics","level":1,"score":0.5493999719619751},{"id":"https://openalex.org/C36602379","wikidata":"https://www.wikidata.org/wiki/Q7315745","display_name":"Resonant inelastic X-ray scattering","level":5,"score":0.5181999802589417},{"id":"https://openalex.org/C4839761","wikidata":"https://www.wikidata.org/wiki/Q212111","display_name":"Spectral line","level":2,"score":0.5073000192642212},{"id":"https://openalex.org/C152365726","wikidata":"https://www.wikidata.org/wiki/Q1048589","display_name":"Density functional theory","level":2,"score":0.4449999928474426},{"id":"https://openalex.org/C191486275","wikidata":"https://www.wikidata.org/wiki/Q210028","display_name":"Scattering","level":2,"score":0.4410000145435333},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.42969998717308044},{"id":"https://openalex.org/C121332964","wikidata":"https://www.wikidata.org/wiki/Q413","display_name":"Physics","level":0,"score":0.4090000092983246},{"id":"https://openalex.org/C2908647359","wikidata":"https://www.wikidata.org/wiki/Q2625603","display_name":"Population","level":2,"score":0.40230000019073486},{"id":"https://openalex.org/C41999313","wikidata":"https://www.wikidata.org/wiki/Q489328","display_name":"Molecular physics","level":1,"score":0.39750000834465027},{"id":"https://openalex.org/C147120987","wikidata":"https://www.wikidata.org/wiki/Q2225","display_name":"Electron","level":2,"score":0.3628999888896942},{"id":"https://openalex.org/C189394030","wikidata":"https://www.wikidata.org/wiki/Q53860","display_name":"Atomic orbital","level":3,"score":0.35740000009536743},{"id":"https://openalex.org/C198179714","wikidata":"https://www.wikidata.org/wiki/Q3075223","display_name":"Electron localization function","level":3,"score":0.3375000059604645},{"id":"https://openalex.org/C86025842","wikidata":"https://www.wikidata.org/wiki/Q5358432","display_name":"Electronic structure","level":2,"score":0.31369999051094055},{"id":"https://openalex.org/C139358910","wikidata":"https://www.wikidata.org/wiki/Q725417","display_name":"Molecular orbital","level":3,"score":0.311599999666214},{"id":"https://openalex.org/C31198834","wikidata":"https://www.wikidata.org/wiki/Q1451740","display_name":"Inelastic neutron scattering","level":4,"score":0.3075999915599823},{"id":"https://openalex.org/C21200559","wikidata":"https://www.wikidata.org/wiki/Q7451068","display_name":"Sensitivity (control systems)","level":2,"score":0.3066999912261963},{"id":"https://openalex.org/C76308580","wikidata":"https://www.wikidata.org/wiki/Q8041568","display_name":"X-ray Raman scattering","level":4,"score":0.2962000072002411},{"id":"https://openalex.org/C83581075","wikidata":"https://www.wikidata.org/wiki/Q1361503","display_name":"Excitation","level":2,"score":0.29490000009536743},{"id":"https://openalex.org/C110715899","wikidata":"https://www.wikidata.org/wiki/Q3570341","display_name":"XANES","level":3,"score":0.2833000123500824},{"id":"https://openalex.org/C58312451","wikidata":"https://www.wikidata.org/wiki/Q4817200","display_name":"Atom (system on chip)","level":2,"score":0.28189998865127563},{"id":"https://openalex.org/C38649801","wikidata":"https://www.wikidata.org/wiki/Q107414","display_name":"Valence electron","level":3,"score":0.2590000033378601}],"mesh":[],"locations_count":1,"locations":[{"id":"doi:10.26434/chemrxiv.15008222/v1","doi":"https://doi.org/10.26434/chemrxiv.15008222/v1","is_oa":true,"landing_page_url":"https://doi.org/10.26434/chemrxiv.15008222/v1","pdf_url":"https://chemrxiv.org/doi/pdf/10.26434/chemrxiv.15008222/v1","source":{"id":"https://openalex.org/S4393918830","display_name":"ChemRxiv","issn_l":"2573-2293","issn":["2573-2293"],"is_oa":false,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":null,"host_organization_name":null,"host_organization_lineage":[],"host_organization_lineage_names":[],"type":"repository"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"acceptedVersion","is_accepted":true,"is_published":false,"raw_source_name":null,"raw_type":"posted-content"}],"best_oa_location":{"id":"doi:10.26434/chemrxiv.15008222/v1","doi":"https://doi.org/10.26434/chemrxiv.15008222/v1","is_oa":true,"landing_page_url":"https://doi.org/10.26434/chemrxiv.15008222/v1","pdf_url":"https://chemrxiv.org/doi/pdf/10.26434/chemrxiv.15008222/v1","source":{"id":"https://openalex.org/S4393918830","display_name":"ChemRxiv","issn_l":"2573-2293","issn":["2573-2293"],"is_oa":false,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":null,"host_organization_name":null,"host_organization_lineage":[],"host_organization_lineage_names":[],"type":"repository"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"acceptedVersion","is_accepted":true,"is_published":false,"raw_source_name":null,"raw_type":"posted-content"},"sustainable_development_goals":[],"study_designs":[],"awards":[],"funders":[{"id":"https://openalex.org/F4320313096","display_name":"Diamond Light Source","ror":"https://ror.org/05etxs293"}],"has_content":{"pdf":true,"grobid_xml":true},"content_urls":{"pdf":"https://content.openalex.org/works/W7207763288.pdf","grobid_xml":"https://content.openalex.org/works/W7207763288.grobid-xml"},"referenced_works_count":0,"referenced_works":[],"related_works":["https://openalex.org/W2084735358","https://openalex.org/W4382181582","https://openalex.org/W4210355310","https://openalex.org/W4226089893","https://openalex.org/W2755272268","https://openalex.org/W2064448608","https://openalex.org/W3195978421","https://openalex.org/W3000177710","https://openalex.org/W4407341189","https://openalex.org/W2023136804"],"abstract_inverted_index":{"L":[0,125],"3":[1,55,59,75,79,81,102,126],"-edge":[2,127],"valence-to-core":[3],"resonant":[4],"inelastic":[5,109],"X-ray":[6],"scattering":[7],"(V2C-RIXS)":[8],"is":[9,29],"applied":[10],"to":[11,21,31,111,137,166],"thorium":[12],"for":[13],"the":[14,18,96,105,112,152],"first":[15],"time,":[16],"demonstrating":[17],"technique\u2019s":[19],"sensitivity":[20,28,136],"actinide":[22,169],"6d-orbital":[23],"participation":[24],"in":[25,44,141,168],"bonding.":[26],"This":[27,144],"exploited":[30],"identify":[32],"states":[33],"arising":[34],"from":[35],"delocalized":[36,116],"valence":[37],"molecular":[38,121],"orbitals":[39],"of":[40,99,108,114,162],"predominantly":[41],"6d":[42,118,138,163],"character":[43],"two":[45,153],"trithorium":[46],"clusters,":[47],"[{Th(\u03b7":[48,68],"8":[49,51,53,69,71,73],"-C":[50,70],"H":[52,72],")(\u00b5":[54,74],"-Cl)":[56,76],"2":[57,61,63,77],"}":[58,62,78],"{K(DME)":[60],"]":[64,80],"2b":[65,100],"and":[66,101,155],"[K(2.2.2-cryptand)]":[67],".":[82],"Density":[83],"functional":[84],"theory":[85],"based":[86],"restricted":[87],"open-shell":[88],"configuration":[89],"interaction":[90],"with":[91],"singles":[92],"(DFT/ROCIS)":[93],"accurately":[94],"reproduces":[95],"V2C-RIXS":[97,157],"spectra":[98,133],",":[103],"enabling":[104],"quantitative":[106],"assignment":[107],"intensity":[110],"population":[113,140],"a":[115,148,159],"three-center":[117],"z2":[119],"\u03c3-bonding":[120],"orbital.":[122],"In":[123],"contrast,":[124],"high-energy-resolution":[128],"fluorescence":[129],"detection":[130],"(HERFD)":[131],"XANES":[132],"exhibit":[134],"negligible":[135],"electron":[139],"these":[142],"compounds.":[143,170],"study,":[145],"thus,":[146],"establishes":[147],"clear":[149],"distinction":[150],"between":[151],"techniques":[154],"identifies":[156],"as":[158],"unique":[160],"probe":[161],"orbital":[164],"contributions":[165],"bonding":[167]},"counts_by_year":[],"updated_date":"2026-10-28T10:33:24.094632","created_date":"2026-09-04T00:00:00"}
