{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,9,25]],"date-time":"2026-09-25T12:03:23Z","timestamp":1790337803282,"version":"4.1.0"},"reference-count":62,"publisher":"Wiley","issue":"18","license":[{"start":{"date-parts":[[2026,9,24]],"date-time":"2026-09-24T00:00:00Z","timestamp":1790208000000},"content-version":"vor","delay-in-days":0,"URL":"http:\/\/onlinelibrary.wiley.com\/termsAndConditions#vor"},{"start":{"date-parts":[[2026,9,24]],"date-time":"2026-09-24T00:00:00Z","timestamp":1790208000000},"content-version":"tdm","delay-in-days":0,"URL":"http:\/\/doi.wiley.com\/10.1002\/tdm_license_1.1"}],"content-domain":{"domain":["chemistry-europe.onlinelibrary.wiley.com"],"crossmark-restriction":true},"short-container-title":["ChemPhysChem"],"published-print":{"date-parts":[[2026,9,28]]},"abstract":"<jats:p>\n                    The structural and electronic properties of oxygen\u2010deficient Ta\n                    <jats:sub>4<\/jats:sub>\n                    O\n                    <jats:sub>\n                      <jats:italic>n<\/jats:italic>\n                    <\/jats:sub>\n                    <jats:sup>\u2212<\/jats:sup>\n                    (\n                    <jats:italic>n<\/jats:italic>\n                    \u2009=\u20090\u20139) clusters were investigated using cryogenic photoelectron imaging spectroscopy in combination with density functional theory calculations. The electron affinities of neutral Ta\n                    <jats:sub>4<\/jats:sub>\n                    O\n                    <jats:sub>\n                      <jats:italic>n<\/jats:italic>\n                    <\/jats:sub>\n                    (\n                    <jats:italic>n<\/jats:italic>\n                    \u2009=\u20090\u20134) are measured to be 1.107\u2009\u00b1\u20090.005, 1.340\u2009\u00b1\u20090.005, 1.302\u2009\u00b1 0.005, 1.485\u2009\u00b1\u20090.005 and 1.419\u2009\u00b1\u20090.005\u2009eV, respectively. The symmetric Ta\u2013Ta stretching frequencies are measured as 169\u2009cm\n                    <jats:sup>\u22121<\/jats:sup>\n                    for Ta\n                    <jats:sub>4<\/jats:sub>\n                    O\n                    <jats:sub>2<\/jats:sub>\n                    <jats:sup>\u2212<\/jats:sup>\n                    and 145\u2009cm\n                    <jats:sup>\u22121<\/jats:sup>\n                    for Ta\n                    <jats:sub>4<\/jats:sub>\n                    O\n                    <jats:sub>4<\/jats:sub>\n                    <jats:sup>\u2212<\/jats:sup>\n                    , while an asymmetric Ta\u2013Ta stretching at 129\u2009cm\n                    <jats:sup>\u22121<\/jats:sup>\n                    was identified for Ta\n                    <jats:sub>4<\/jats:sub>\n                    O\n                    <jats:sub>3<\/jats:sub>\n                    <jats:sup>\u2212<\/jats:sup>\n                    . Structural analysis reveals oxygen atoms preferentially occupy bridging sites on the tetrahedral Ta\n                    <jats:sub>4<\/jats:sub>\n                    framework core, with terminal coordination becoming favorable only at relatively high oxygen content. A pronounced odd\u2013even alternation in the adiabatic detachment energies was observed for\n                    <jats:italic>n<\/jats:italic>\n                    \u2009=\u20091\u20134. Orbital delocalization index analysis reveals that this oscillation originates from variations in the localization of the highest occupied molecular orbital, leading to stronger electron binding in odd\u2010\n                    <jats:italic>n<\/jats:italic>\n                    clusters. Benchmarking against high\u2010quality spectroscopic data shows that the BP86 functional yields a robust description of the electronic structure of these clusters, whereas commonly employed hybrid functionals show significant deviations.\n                  <\/jats:p>","DOI":"10.1002\/cphc.70568","type":"journal-article","created":{"date-parts":[[2026,9,25]],"date-time":"2026-09-25T01:05:27Z","timestamp":1790298327000},"update-policy":"https:\/\/doi.org\/10.1002\/crossmark_policy","source":"Crossref","is-referenced-by-count":0,"title":["Photoelectron Imaging Spectroscopy of Ta\n                    <sub>4<\/sub>\n                    O\n                    <sub>\n                      <i>n<\/i>\n                    <\/sub>\n                    <sup>\u2212<\/sup>\n                    (\n                    <i>n<\/i>\n                    \u2009=\u20090\u20139) Clusters"],"prefix":"10.1002","volume":"27","author":[{"ORCID":"https:\/\/orcid.org\/0000-0002-3242-9026","authenticated-orcid":false,"given":"Bin","family":"Huo","sequence":"first","affiliation":[{"name":"State Key Laboratory for Structural Chemistry of Unstable and Stable Species Institute of Chemistry, Chinese Academy of Sciences  Beijing P. 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