{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,9,3]],"date-time":"2026-09-03T17:16:17Z","timestamp":1788455777751,"version":"build-2803163510"},"reference-count":67,"publisher":"American Chemical Society (ACS)","issue":"34","license":[{"start":{"date-parts":[[2026,8,20]],"date-time":"2026-08-20T00:00:00Z","timestamp":1787184000000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-029"},{"start":{"date-parts":[[2026,8,20]],"date-time":"2026-08-20T00:00:00Z","timestamp":1787184000000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-037"},{"start":{"date-parts":[[2026,8,20]],"date-time":"2026-08-20T00:00:00Z","timestamp":1787184000000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-045"}],"funder":[{"DOI":"10.13039\/na","name":"U.S. Department of Energy","doi-asserted-by":"publisher","award":["DE-AC02-76SF00515"],"award-info":[{"award-number":["DE-AC02-76SF00515"]}],"id":[{"id":"10.13039\/na","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/na","name":"U.S. Department of Energy","doi-asserted-by":"publisher","award":["DE-SC0020199"],"award-info":[{"award-number":["DE-SC0020199"]}],"id":[{"id":"10.13039\/na","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":[],"published-print":{"date-parts":[[2026,9,2]]},"abstract":"<jats:title>Abstract<\/jats:title>\n                  <jats:p>This work identifies the impact of covalent metal\u2013ligand interactions on the excited states of planar [M(diimine)(dithiolate)] complexes (M = Pt, Ni) with bipyridyl (bpy) and benzene-1,2-dithiolate (bdt) ligands. The long-lived excited states of the Pt(II) complexes have long been surmised to have metal-and-dithiolate ligand \u2192 diimine ligand charge transfer (MLL\u2019CT) character due to disproportionately strong metal\u2013dithiolate orbital mixing, whereas the nature of the shorter-lived excited states of the nonluminescent Ni(II) complexes has not been investigated. Time-resolved Pt 2p (L3-edge) X-ray absorption near-edge structure (XANES) spectroscopy is presented herein to definitively prove that strong orbital overlap between the metal center and dithiolate ligand yields the MLL\u2019CT character of the long-lived excited state in [Pt(bpy)(bdt)]. For [Ni(bpy)(bdt)], ultrafast transient Ni 1s (K-edge) XANES is used to resolve the electronic and structural relaxation dynamics following MLL\u2019CT excitation. Combined with electronic structure calculations, the results show that the low-lying Ni 3dyz orbital in [Ni(bpy)(bdt)] facilitates subpicosecond formation of a metastable triplet excited state with ligand field state symmetry (3LF). Tetrahedral structural relaxation dynamically alters the differential Ni\u2013diimine and Ni\u2013dithiolate covalencies and thereby modulates the resulting excited state charge distribution. The Ni-and-bpy \u2192 bdt charge transfer character of the fully relaxed 3LF state is found to reverse the directionality of the ligand-to-ligand charge transfer established for the 3MLL\u2019CT state of the Pt congener. Altogether, these results demonstrate that inequivalent metal\u2013ligand covalencies in mixed-ligand donor\u2013acceptor complexes could be applied to control excited state charge distributions within photoactive transition metal complexes.<\/jats:p>","DOI":"10.1021\/jacs.6c08363","type":"journal-article","created":{"date-parts":[[2026,8,20]],"date-time":"2026-08-20T20:01:30Z","timestamp":1787256090000},"page":"36806-36816","source":"Crossref","is-referenced-by-count":0,"title":["Interplay between Structural\nReorganization and Metal\n                    <i>\u2013<\/i>\n                    Ligand Covalency\nin the Distinct Excited States\nof [M(diimine)(dithiolate)] Complexes"],"prefix":"10.1021","volume":"148","author":[{"given":"Shuri A.","family":"Francis","sequence":"first","affiliation":[{"name":"Stanford University , , , ,","place":["Menlo Park, California, United States, 94025"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-3470-8296","authenticated-orcid":true,"given":"Hyeongtaek","family":"Lim","sequence":"additional","affiliation":[{"name":"Stanford University , , , ,","place":["Menlo Park, California, United States, 94025"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-2007-0319","authenticated-orcid":true,"given":"Benjamin I.","family":"Poulter","sequence":"additional","affiliation":[{"name":"Stanford University , , , ,","place":["Menlo Park, California, United States, 94025"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Wenhui","family":"Hu","sequence":"additional","affiliation":[{"name":"Stanford University , , , ,","place":["Menlo Park, California, United States, 94025"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-6835-2860","authenticated-orcid":true,"given":"Reagan X.","family":"Hooper","sequence":"additional","affiliation":[{"name":"Stanford University , , , ,","place":["Menlo Park, California, United States, 94025"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Elizabeth S.","family":"Ryland","sequence":"additional","affiliation":[{"name":"Stanford University , , , ,","place":["Menlo Park, California, United States, 94025"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Kacie J.","family":"Nelson","sequence":"additional","affiliation":[{"name":"Stanford University , , , ,","place":["Menlo Park, California, United States, 94025"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-5570-3350","authenticated-orcid":true,"given":"Sumana L.","family":"Raj","sequence":"additional","affiliation":[{"name":"Stanford University , , , ,","place":["Menlo Park, California, United States, 94025"]},{"name":"Linac Coherent Light Source, SLAC National Accelerator Laboratory , , ,","place":["Menlo Park, California, United States, 94025"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Cali L.","family":"Antolini","sequence":"additional","affiliation":[{"name":"Linac Coherent Light Source, SLAC National Accelerator Laboratory , , ,","place":["Menlo Park, California, United States, 94025"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Gourab","family":"Chatterjee","sequence":"additional","affiliation":[{"name":"Linac Coherent Light Source, SLAC National Accelerator Laboratory , , ,","place":["Menlo Park, California, United States, 94025"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-5817-3997","authenticated-orcid":true,"given":"Leland B.","family":"Gee","sequence":"additional","affiliation":[{"name":"Linac Coherent Light Source, SLAC National Accelerator Laboratory , , ,","place":["Menlo Park, California, United States, 94025"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Tim B.","family":"van Driel","sequence":"additional","affiliation":[{"name":"Linac Coherent Light Source, SLAC National Accelerator Laboratory , , ,","place":["Menlo Park, California, United States, 94025"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-8241-9160","authenticated-orcid":true,"given":"Jing","family":"Yang","sequence":"additional","affiliation":[{"name":"University of New Mexico , , , ,","place":["Albuquerque, New Mexico, United States, 87131-0001"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-8121-6812","authenticated-orcid":true,"given":"David A.","family":"Shultz","sequence":"additional","affiliation":[{"name":"North Carolina State University , , , ,","place":["Raleigh, North Carolina, United States, 27695-8204"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-0525-6465","authenticated-orcid":true,"given":"Kelly J.","family":"Gaffney","sequence":"additional","affiliation":[{"name":"Stanford University , , , ,","place":["Menlo Park, California, United States, 94025"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-1479-3318","authenticated-orcid":true,"given":"Martin L.","family":"Kirk","sequence":"additional","affiliation":[{"name":"University of New Mexico , , , ,","place":["Albuquerque, New Mexico, United States, 87131-0001"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-9897-5380","authenticated-orcid":true,"given":"Amy A.","family":"Cordones","sequence":"additional","affiliation":[{"name":"Stanford University , , , ,","place":["Menlo Park, California, United States, 94025"]}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"316","published-online":{"date-parts":[[2026,8,20]]},"reference":[{"issue":"14","key":"2026090312072799400_cit1","doi-asserted-by":"publisher","first-page":"11608","DOI":"10.1021\/jacs.5c02096","article-title":"Molecular\nDesign Principles for Photoactive\nTransition Metal Complexes: A Guide for \u201cPhoto-Motivated\u201d\nChemists","volume":"147","author":"Morselli","year":"2025","journal-title":"J. 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II.\nThe Formation and Properties of Mixed-Ligand Dithiolene \u03b1-Diimine\nComplexes of Nickel","volume":"95","author":"Miller","year":"1973","journal-title":"J. Am. Chem. Soc."},{"issue":"8","key":"2026090312072799400_cit16","doi-asserted-by":"publisher","first-page":"1949","DOI":"10.1021\/ja951345y","article-title":"Tuning the Excited-State Properties of Platinum(II)\nDiimine Dithiolate Complexes","volume":"118","author":"Cummings","year":"1996","journal-title":"J. Am. Chem. Soc."},{"issue":"4","key":"2026090312072799400_cit17","doi-asserted-by":"publisher","first-page":"506","DOI":"10.1021\/ic00172a026","article-title":"Mixed-Ligand (1,2-Diimine)(Ethylene-1,2-Dithiolate)\nComplexes of Nickel, Palladium, and Platinum","volume":"23","author":"Vogler","year":"1984","journal-title":"Inorg. Chem."},{"issue":"9","key":"2026090312072799400_cit18","doi-asserted-by":"publisher","first-page":"4517","DOI":"10.1021\/ic5002094","article-title":"Nonlinear-Optical\nProperties of \u03b1-Diiminedithiolatonickel(II) Complexes Enhanced\nby Electron-Withdrawing Carboxyl Groups","volume":"53","author":"Pilia","year":"2014","journal-title":"Inorg.\nChem."},{"issue":"8","key":"2026090312072799400_cit19","doi-asserted-by":"publisher","first-page":"2273","DOI":"10.1002\/celc.201900400","article-title":"Ligand-Based PCET Reduction in a\nHeteroleptic Ni(Bpy)(Dithiolene) Electrocatalyst Giving Rise to Higher\nMetal Basicity Required for Hydrogen Evolution","volume":"6","author":"Koshiba","year":"2019","journal-title":"ChemElectroChem"},{"key":"2026090312072799400_cit20","doi-asserted-by":"publisher","first-page":"315","DOI":"10.1002\/0471471933.ch6","article-title":"Luminescence\nand Photochemistry of Metal Dithiolene\nComplexes","volume":"52","author":"Cummings","year":"2004","journal-title":"Prog. Inorg. Chem."},{"key":"2026090312072799400_cit21","doi-asserted-by":"publisher","first-page":"2404","DOI":"10.1021\/ic00038a019","article-title":"Spectroscopic\nand Theoretical Studies on the Excited State in Diimine Dithiolate\nComplexes of Platinum(II)","volume":"31","author":"Zuleta","year":"1992","journal-title":"Inorg. Chem."},{"key":"2026090312072799400_cit22","doi-asserted-by":"publisher","first-page":"111","DOI":"10.1002\/0471471933.ch3","article-title":"The Electronic\nStructure and Spectroscopy of Metallo-Dithiolene Complexes","volume-title":"Progress in Inorganic Chemistry","author":"Kirk","year":"2003"},{"issue":"26","key":"2026090312072799400_cit23","doi-asserted-by":"publisher","first-page":"8853","DOI":"10.1021\/ic034978j","article-title":"Synthesis,\nCharacterization,\nand Crystal Structure of the Pd(Phen)(Bdt) Complex. A DFT and TDDFT\nStudy of Its Ground Electronic and Excited States Compared to Those\nof Analogous Complexes","volume":"42","author":"Makedonas","year":"2003","journal-title":"Inorg. Chem."},{"issue":"7","key":"2026090312072799400_cit24","doi-asserted-by":"publisher","first-page":"1550","DOI":"10.1021\/ic000884n","article-title":"Photochemical\nand Chemical Oxidation of \u03b1-Dimine-Dithiolene\nMetal Complexes: Insight into the Role of the Metal Atom","volume":"40","author":"Cocker","year":"2001","journal-title":"Inorg. Chem."},{"issue":"18","key":"2026090312072799400_cit25","doi-asserted-by":"publisher","first-page":"4625","DOI":"10.1021\/ic980032b","article-title":"Syntheses,\nMolecular Structures, and Spectroscopy of Gold(III) Dithiolate Complexes","volume":"37","author":"Mansour","year":"1998","journal-title":"Inorg. 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