{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,7,28]],"date-time":"2026-07-28T11:50:03Z","timestamp":1785239403822,"version":"3.55.0"},"reference-count":33,"publisher":"AIP Publishing","issue":"4","funder":[{"DOI":"10.13039\/100000015","name":"U.S. Department of Energy","doi-asserted-by":"publisher","award":["DE-AC02-05CH11231"],"award-info":[{"award-number":["DE-AC02-05CH11231"]}],"id":[{"id":"10.13039\/100000015","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/100000015","name":"U.S. Department of Energy","doi-asserted-by":"publisher","award":["DE-FG02-86ER13491"],"award-info":[{"award-number":["DE-FG02-86ER13491"]}],"id":[{"id":"10.13039\/100000015","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/100000015","name":"U.S. Department of Energy","doi-asserted-by":"publisher","award":["DE-AC02-05CH1123"],"award-info":[{"award-number":["DE-AC02-05CH1123"]}],"id":[{"id":"10.13039\/100000015","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/100000001","name":"National Science Foundation","doi-asserted-by":"publisher","award":["NSF-1807017"],"award-info":[{"award-number":["NSF-1807017"]}],"id":[{"id":"10.13039\/100000001","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/100000001","name":"National Science Foundation","doi-asserted-by":"publisher","award":["NSF-220801"],"award-info":[{"award-number":["NSF-220801"]}],"id":[{"id":"10.13039\/100000001","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/100017223","name":"National Energy Research Scientific Computing Center","doi-asserted-by":"publisher","award":["BES-ERCAP-0020143"],"award-info":[{"award-number":["BES-ERCAP-0020143"]}],"id":[{"id":"10.13039\/100017223","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/100017223","name":"National Energy Research Scientific Computing Center","doi-asserted-by":"publisher","award":["BES-ERCAP-001977"],"award-info":[{"award-number":["BES-ERCAP-001977"]}],"id":[{"id":"10.13039\/100017223","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":["pubs.aip.org"],"crossmark-restriction":true},"short-container-title":[],"published-print":{"date-parts":[[2024,7,28]]},"abstract":"<jats:p>We applied reaction microscopy to elucidate fast non-adiabatic dissociation dynamics of deuterated water molecules after direct photo-double ionization at 61\u00a0eV with synchrotron radiation. For the very rare D+ + O+ + D breakup channel, the particle momenta, angular, and energy distributions of electrons and ions, measured in coincidence, reveal distinct electronic dication states and their dissociation pathways via spin\u2013orbit coupling and charge transfer at crossings and seams on the potential energy surfaces. Notably, we could distinguish between direct and fast sequential dissociation scenarios. For the latter case, our measurements reveal the geometry and orientation of the deuterated water molecule with respect to the polarization vector that leads to this rare 3-body molecular breakup channel. Aided by multi-reference configuration-interaction calculations, the dissociation dynamics could be traced on the relevant potential energy surfaces and particularly their crossings and seams. This approach also unraveled the ultrafast time scales governing these processes.<\/jats:p>","DOI":"10.1063\/5.0219029","type":"journal-article","created":{"date-parts":[[2024,7,26]],"date-time":"2024-07-26T09:47:06Z","timestamp":1721987226000},"update-policy":"https:\/\/doi.org\/10.1063\/aip-crossmark-policy-page","source":"Crossref","is-referenced-by-count":4,"title":["Tracking ultrafast non-adiabatic dissociation dynamics of the deuterated water dication molecule"],"prefix":"10.1063","volume":"161","author":[{"ORCID":"https:\/\/orcid.org\/0000-0003-4604-4431","authenticated-orcid":false,"given":"W.","family":"Iskandar","sequence":"first","affiliation":[{"name":"Chemical Sciences Division, Lawrence Berkeley National Laboratory 1 , Berkeley, California 94720, USA"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-8891-1359","authenticated-orcid":false,"given":"T. N.","family":"Rescigno","sequence":"additional","affiliation":[{"name":"Chemical Sciences Division, Lawrence Berkeley National Laboratory 1 , Berkeley, California 94720, USA"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-3882-9100","authenticated-orcid":false,"given":"A. E.","family":"Orel","sequence":"additional","affiliation":[{"name":"Chemical Engineering, University of California 2 , Davis, California 95616, USA"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-3252-260X","authenticated-orcid":false,"given":"K. A.","family":"Larsen","sequence":"additional","affiliation":[{"name":"Chemical Sciences Division, Lawrence Berkeley National Laboratory 1 , Berkeley, California 94720, USA"},{"name":"Graduate Group in Applied Science and Technology, University of California 3 , Berkeley, California 94720, USA"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-3982-5037","authenticated-orcid":false,"given":"T.","family":"Severt","sequence":"additional","affiliation":[{"name":"J. R. Macdonald Laboratory, Department of Physics, Kansas State University 4 , Manhattan, Kansas 66506, USA"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Z. L.","family":"Streeter","sequence":"additional","affiliation":[{"name":"Chemical Sciences Division, Lawrence Berkeley National Laboratory 1 , Berkeley, California 94720, USA"},{"name":"Department of Chemistry, University of California 5 , Davis, California 95616, USA"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-2040-1453","authenticated-orcid":false,"given":"B.","family":"Jochim","sequence":"additional","affiliation":[{"name":"J. R. Macdonald Laboratory, Department of Physics, Kansas State University 4 , Manhattan, Kansas 66506, USA"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"B.","family":"Griffin","sequence":"additional","affiliation":[{"name":"Chemical Sciences Division, Lawrence Berkeley National Laboratory 1 , Berkeley, California 94720, USA"},{"name":"Department of Physics, University of Nevada 6 , Reno, Nevada 89557, USA"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-2525-5486","authenticated-orcid":false,"given":"D.","family":"Call","sequence":"additional","affiliation":[{"name":"Department of Physics, University of Nevada 6 , Reno, Nevada 89557, USA"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-4770-6348","authenticated-orcid":false,"given":"V.","family":"Davis","sequence":"additional","affiliation":[{"name":"Department of Physics, University of Nevada 6 , Reno, Nevada 89557, USA"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-0865-9195","authenticated-orcid":false,"given":"C. W.","family":"McCurdy","sequence":"additional","affiliation":[{"name":"Chemical Sciences Division, Lawrence Berkeley National Laboratory 1 , Berkeley, California 94720, USA"},{"name":"Department of Chemistry, University of California 5 , Davis, California 95616, USA"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-7200-3775","authenticated-orcid":false,"given":"R. R.","family":"Lucchese","sequence":"additional","affiliation":[{"name":"Chemical Sciences Division, Lawrence Berkeley National Laboratory 1 , Berkeley, California 94720, USA"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"J. B.","family":"Williams","sequence":"additional","affiliation":[{"name":"Department of Physics, University of Nevada 6 , Reno, Nevada 89557, USA"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-6214-3520","authenticated-orcid":false,"given":"I.","family":"Ben-Itzhak","sequence":"additional","affiliation":[{"name":"J. R. Macdonald Laboratory, Department of Physics, Kansas State University 4 , Manhattan, Kansas 66506, USA"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-4621-4552","authenticated-orcid":false,"given":"D. S.","family":"Slaughter","sequence":"additional","affiliation":[{"name":"Chemical Sciences Division, Lawrence Berkeley National Laboratory 1 , Berkeley, California 94720, USA"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-3756-2704","authenticated-orcid":false,"given":"T.","family":"Weber","sequence":"additional","affiliation":[{"name":"Chemical Sciences Division, Lawrence Berkeley National Laboratory 1 , Berkeley, California 94720, USA"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"317","published-online":{"date-parts":[[2024,7,26]]},"reference":[{"key":"2024072609470127900_c1","doi-asserted-by":"publisher","first-page":"457","DOI":"10.1002\/andp.19273892002","volume":"389","year":"1927","journal-title":"Ann. Phys."},{"key":"2024072609470127900_c2","doi-asserted-by":"publisher","first-page":"985","DOI":"10.1103\/revmodphys.68.985","volume":"68","year":"1996","journal-title":"Rev. Mod. Phys."},{"key":"2024072609470127900_c3","first-page":"856","volume-title":"Conical Intersections: Electronic Structure, Dynamics and Spectroscopy","year":"2004"},{"key":"2024072609470127900_c4","doi-asserted-by":"publisher","first-page":"3305","DOI":"10.1021\/acs.chemrev.7b00423","volume":"118","year":"2018","journal-title":"Chem. Rev."},{"key":"2024072609470127900_c5","doi-asserted-by":"publisher","first-page":"094310","DOI":"10.1063\/5.0037878","volume":"154","year":"2021","journal-title":"J.\u00a0Chem. Phys."},{"key":"2024072609470127900_c6","doi-asserted-by":"publisher","first-page":"187","DOI":"10.1002\/wcms.83","volume":"2","year":"2012","journal-title":"Wiley Interdiscip. Rev.: Comput. Mol. Sci."},{"key":"2024072609470127900_c7","doi-asserted-by":"publisher","first-page":"617","DOI":"10.1146\/annurev-physchem-061020-053433","volume":"72","year":"2021","journal-title":"Annu. Rev. Phys. Chem."},{"key":"2024072609470127900_c8","doi-asserted-by":"publisher","first-page":"515","DOI":"10.1146\/annurev-physchem-101419-012625","volume":"72","year":"2021","journal-title":"Annu. Rev. Phys. Chem."},{"key":"2024072609470127900_c9","doi-asserted-by":"publisher","first-page":"054115","DOI":"10.1063\/5.0078908","volume":"156","year":"2022","journal-title":"J.\u00a0Chem. Phys."},{"key":"2024072609470127900_c10","doi-asserted-by":"publisher","first-page":"094301","DOI":"10.1063\/5.0159300","volume":"159","year":"2023","journal-title":"J.\u00a0Chem. Phys."},{"key":"2024072609470127900_c11","doi-asserted-by":"publisher","first-page":"133001","DOI":"10.1103\/physrevlett.106.133001","volume":"106","year":"2011","journal-title":"Phys. Rev. Lett."},{"key":"2024072609470127900_c12","doi-asserted-by":"publisher","first-page":"053429","DOI":"10.1103\/physreva.98.053429","volume":"98","year":"2018","journal-title":"Phys. Rev. A"},{"key":"2024072609470127900_c13","doi-asserted-by":"publisher","first-page":"053430","DOI":"10.1103\/physreva.98.053430","volume":"98","year":"2018","journal-title":"Phys. Rev. A"},{"key":"2024072609470127900_c14","doi-asserted-by":"publisher","first-page":"5146","DOI":"10.1038\/s41467-022-32836-6","volume":"13","year":"2022","journal-title":"Nat. Commun."},{"key":"2024072609470127900_c15","doi-asserted-by":"publisher","first-page":"2347","DOI":"10.1088\/0031-9155\/43\/8\/025","volume":"43","year":"1998","journal-title":"Phys. Med. Biol."},{"key":"2024072609470127900_c16","doi-asserted-by":"publisher","first-page":"299","DOI":"10.1016\/0301-0104(78)85080-0","volume":"29","year":"1978","journal-title":"Chem. Phys."},{"key":"2024072609470127900_c17","doi-asserted-by":"publisher","first-page":"3189","DOI":"10.1063\/1.450808","volume":"84","year":"1986","journal-title":"J.\u00a0Chem. Phys."},{"key":"2024072609470127900_c18","doi-asserted-by":"publisher","first-page":"1385","DOI":"10.1088\/0953-4075\/21\/8\/011","volume":"21","year":"1988","journal-title":"J.\u00a0Phys. B: At., Mol. Opt. Phys."},{"key":"2024072609470127900_c19","doi-asserted-by":"publisher","first-page":"300","DOI":"10.1103\/physreva.59.300","volume":"59","year":"1999","journal-title":"Phys. Rev. A"},{"key":"2024072609470127900_c20","doi-asserted-by":"publisher","first-page":"391","DOI":"10.1016\/j.chemphys.2005.09.047","volume":"323","year":"2006","journal-title":"Chem. Phys."},{"key":"2024072609470127900_c21","doi-asserted-by":"publisher","first-page":"19322","DOI":"10.1039\/c3cp52625a","volume":"15","year":"2013","journal-title":"Phys. Chem. Chem. Phys."},{"key":"2024072609470127900_c22","doi-asserted-by":"publisher","first-page":"21562","DOI":"10.1039\/d3cp02438e","volume":"25","year":"2023","journal-title":"Phys. Chem. Chem. Phys."},{"key":"2024072609470127900_c23","doi-asserted-by":"publisher","first-page":"85020P","DOI":"10.1117\/12.930328","volume":"8502","year":"2012","journal-title":"Proc. SPIE"},{"key":"2024072609470127900_c24","doi-asserted-by":"publisher","first-page":"95","DOI":"10.1016\/s0370-1573(99)00109-x","volume":"330","year":"2000","journal-title":"Phys. Rep."},{"key":"2024072609470127900_c25","doi-asserted-by":"publisher","first-page":"1463","DOI":"10.1088\/0034-4885\/66\/9\/203","volume":"66","year":"2003","journal-title":"Rep. Prog. Phys."},{"key":"2024072609470127900_c26","doi-asserted-by":"publisher","first-page":"229","DOI":"10.1016\/j.elspec.2004.06.010","volume":"141","year":"2004","journal-title":"J.\u00a0Electron Spectrosc. Relat. Phenom."},{"key":"2024072609470127900_c27","doi-asserted-by":"crossref","first-page":"339","DOI":"10.1021\/bk-2001-0770","volume-title":"Imaging in Chemical Dynamics","author":"Suits","year":"2000"},{"key":"2024072609470127900_c28","doi-asserted-by":"publisher","first-page":"2477","DOI":"10.1109\/tns.2002.803889","volume":"49","year":"2002","journal-title":"IEEE Trans. Nucl. Sci."},{"key":"2024072609470127900_c29","doi-asserted-by":"publisher","first-page":"024302","DOI":"10.1063\/1.3157164","volume":"131","year":"2009","journal-title":"J.\u00a0Chem. Phys."},{"key":"2024072609470127900_c30","doi-asserted-by":"publisher","first-page":"103001","DOI":"10.1103\/physrevlett.120.103001","volume":"120","year":"2018","journal-title":"Phys. Rev. Lett."},{"key":"2024072609470127900_c32","doi-asserted-by":"publisher","first-page":"2099","DOI":"10.1063\/1.451154","volume":"85","year":"1986","journal-title":"J.\u00a0Chem. Phys."},{"key":"2024072609470127900_c33","doi-asserted-by":"publisher","first-page":"233002","DOI":"10.1103\/physrevlett.90.233002","volume":"90","year":"2003","journal-title":"Phys. Rev. Lett."},{"key":"2024072609470127900_c35","doi-asserted-by":"publisher","first-page":"043056","DOI":"10.1103\/physrevresearch.2.043056","volume":"2","year":"2020","journal-title":"Phys. Rev. Res."}],"container-title":["The Journal of Chemical Physics"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/pubs.aip.org\/aip\/jcp\/article-pdf\/doi\/10.1063\/5.0219029\/20078912\/044311_1_5.0219029.pdf","content-type":"application\/pdf","content-version":"vor","intended-application":"syndication"},{"URL":"https:\/\/pubs.aip.org\/aip\/jcp\/article-pdf\/doi\/10.1063\/5.0219029\/20078912\/044311_1_5.0219029.pdf","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2024,7,26]],"date-time":"2024-07-26T09:47:12Z","timestamp":1721987232000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.aip.org\/jcp\/article\/161\/4\/044311\/3304772\/Tracking-ultrafast-non-adiabatic-dissociation"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2024,7,26]]},"references-count":33,"journal-issue":{"issue":"4","published-print":{"date-parts":[[2024,7,28]]}},"URL":"https:\/\/doi.org\/10.1063\/5.0219029","relation":{},"ISSN":["0021-9606","1089-7690"],"issn-type":[{"value":"0021-9606","type":"print"},{"value":"1089-7690","type":"electronic"}],"subject":[],"published-other":{"date-parts":[[2024,7,28]]},"published":{"date-parts":[[2024,7,26]]},"article-number":"044311"}}