{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2025,2,21]],"date-time":"2025-02-21T08:38:28Z","timestamp":1740127108325,"version":"3.37.3"},"reference-count":57,"publisher":"AIP Publishing","issue":"10","license":[{"start":{"date-parts":[[2023,9,8]],"date-time":"2023-09-08T00:00:00Z","timestamp":1694131200000},"content-version":"am","delay-in-days":359,"URL":"https:\/\/publishing.aip.org\/authors\/rights-and-permissions"}],"funder":[{"DOI":"10.13039\/100000161","name":"National Institute of Standards and Technology","doi-asserted-by":"crossref","award":["[employer]"],"award-info":[{"award-number":["[employer]"]}],"id":[{"id":"10.13039\/100000161","id-type":"DOI","asserted-by":"crossref"}]}],"content-domain":{"domain":["aip.scitation.org"],"crossmark-restriction":true},"short-container-title":["J. Chem. Phys."],"published-print":{"date-parts":[[2022,9,14]]},"abstract":"<jats:p> Spin\u2013orbit configuration interaction (SO-CI) and coupled-cluster [CCSDT(Q)] theoretical methods are combined to evaluate zero-temperature thermochemical properties of PtH, PtH<jats:sup>+<\/jats:sup>, and PtH<jats:sup>\u2212<\/jats:sup>. We obtain vibrational zero-point energies and spin\u2013orbit stabilization energies, which lead to predictions for observable quantities: ionization energy IE(PtH) = (9.44 \u00b1 0.07) eV; electron affinity EA(PtH) = (1.65 \u00b1 0.04) eV; and dissociation energies D<jats:sub>0<\/jats:sub>(Pt\u2013H) = (329.6 \u00b1 3.9) kJ mol<jats:sup>\u22121<\/jats:sup>, D<jats:sub>0<\/jats:sub>(Pt<jats:sup>+<\/jats:sup>\u2013H) = (279.3 \u00b1 5.7) kJ mol<jats:sup>\u22121<\/jats:sup>, and D<jats:sub>0<\/jats:sub>(Pt<jats:sup>\u2212<\/jats:sup>\u2013H) = (285.0 \u00b1 2.4) kJ mol<jats:sup>\u22121<\/jats:sup> (uncertainty coverage factor = 2). Compared with available experiments, our value of D<jats:sub>0<\/jats:sub>(Pt<jats:sup>+<\/jats:sup>\u2013H) is higher by (8 \u00b1 8) kJ mol<jats:sup>\u22121<\/jats:sup>, EA(PtH) is higher by 0.15\u00a0eV, and D<jats:sub>0<\/jats:sub>(Pt\u2013H) is lower than the upper bound by (2 \u00b1 4) kJ mol<jats:sup>\u22121<\/jats:sup>. <\/jats:p>","DOI":"10.1063\/5.0107501","type":"journal-article","created":{"date-parts":[[2022,9,8]],"date-time":"2022-09-08T12:04:12Z","timestamp":1662638652000},"page":"104304","update-policy":"https:\/\/doi.org\/10.1063\/aip-crossmark-policy-page","source":"Crossref","is-referenced-by-count":2,"title":["Theoretical dissociation, ionization, and spin\u2013orbit energetics of the diatomic platinum hydrides PtH, PtH<sup>+<\/sup>, and PtH<sup>\u2013<\/sup>"],"prefix":"10.1063","volume":"157","author":[{"ORCID":"https:\/\/orcid.org\/0000-0001-7515-6761","authenticated-orcid":false,"given":"Karl K.","family":"Irikura","sequence":"first","affiliation":[{"name":"Chemical Sciences Division, National Institute of Standards and Technology, Gaithersburg, Maryland 20899-8320, USA"}],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"317","reference":[{"key":"c1\/c1_1","doi-asserted-by":"publisher","DOI":"10.1016\/s1872-2067(21)63888-3"},{"key":"c2\/c2_1","doi-asserted-by":"publisher","DOI":"10.1002\/smll.202105680"},{"key":"c3\/c3_1","unstructured":"A. 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