{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,5,30]],"date-time":"2026-05-30T01:37:11Z","timestamp":1780105031631,"version":"3.54.0"},"reference-count":48,"publisher":"AIP Publishing","issue":"7","license":[{"start":{"date-parts":[[2022,8,18]],"date-time":"2022-08-18T00:00:00Z","timestamp":1660780800000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by\/4.0\/"},{"start":{"date-parts":[[2022,8,18]],"date-time":"2022-08-18T00:00:00Z","timestamp":1660780800000},"content-version":"tdm","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by\/4.0\/"}],"funder":[{"DOI":"10.13039\/501100003977","name":"Israel Science Foundation","doi-asserted-by":"publisher","award":["674\/21"],"award-info":[{"award-number":["674\/21"]}],"id":[{"id":"10.13039\/501100003977","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100003977","name":"Israel Science Foundation","doi-asserted-by":"publisher","award":["800\/19"],"award-info":[{"award-number":["800\/19"]}],"id":[{"id":"10.13039\/501100003977","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100001320","name":"Wolfson Foundation","doi-asserted-by":"publisher","id":[{"id":"10.13039\/501100001320","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":["pubs.aip.org"],"crossmark-restriction":true},"short-container-title":[],"published-print":{"date-parts":[[2022,8,21]]},"abstract":"<jats:p>We study the competing mechanisms involved in the Coulomb explosion of 2-propanol CH32CHOH2+ dication, formed by an ultrafast extreme ultraviolet pulse. Over 20 product channels are identified and characterized using 3D coincidence imaging of the ionic fragments. The momentum correlations in the three-body fragmentation channels provide evidence for a dominant sequential mechanism, starting with the cleavage of a C\u2013C bond, ejecting CH3+ and CH3CHOH+ cations, followed by a secondary fragmentation of the hydroxyethyl cation that can be delayed for up to a microsecond after ionization. The C\u2013O bond dissociation channels are less frequent, involving proton transfer and double proton transfer, forming H2O+ and H3O+ products, respectively, and exhibiting mixed sequential and concerted character. These results can be explained by the high potential barrier for the C\u2013O bond dissociation seen in our ab initio quantum chemical calculations. We also observe coincident COH+ + C2Hn+ ions, suggesting exotic structural rearrangements, starting from the Frank\u2013Condon geometry of the neutral 2-propanol system. Remarkably, the relative yield of the H3+ product is suppressed compared with methanol and alkene dications. Ab initio potentials and ground state molecular dynamics simulations show that a rapid and direct C\u2013C bond cleavage dominates the Coulomb explosion process, leaving no time for H2 roaming, which is a necessary precursor to the H3+ formation.<\/jats:p>","DOI":"10.1063\/5.0098531","type":"journal-article","created":{"date-parts":[[2022,7,26]],"date-time":"2022-07-26T16:39:28Z","timestamp":1658853568000},"update-policy":"https:\/\/doi.org\/10.1063\/aip-crossmark-policy-page","source":"Crossref","is-referenced-by-count":20,"title":["Sequential and concerted C\u2013C and C\u2013O bond dissociation in the Coulomb explosion of 2-propanol"],"prefix":"10.1063","volume":"157","author":[{"given":"Dror M.","family":"Bittner","sequence":"first","affiliation":[{"name":"Institute of Chemistry, The Hebrew University of Jerusalem 1 , Jerusalem 9190401, Israel"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-6795-5010","authenticated-orcid":false,"given":"Krishnendu","family":"Gope","sequence":"additional","affiliation":[{"name":"Institute of Chemistry, The Hebrew University of Jerusalem 1 , Jerusalem 9190401, Israel"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-3088-6290","authenticated-orcid":false,"given":"Ester","family":"Livshits","sequence":"additional","affiliation":[{"name":"Fritz Haber Research Center for Molecular Dynamics, The Hebrew University of Jerusalem 2 , Jerusalem 9190401, Israel"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-8432-1925","authenticated-orcid":false,"given":"Roi","family":"Baer","sequence":"additional","affiliation":[{"name":"Fritz Haber Research Center for Molecular Dynamics, The Hebrew University of Jerusalem 2 , Jerusalem 9190401, Israel"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-9000-3816","authenticated-orcid":false,"given":"Daniel","family":"Strasser","sequence":"additional","affiliation":[{"name":"Institute of Chemistry, The Hebrew University of Jerusalem 1 , Jerusalem 9190401, Israel"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"317","published-online":{"date-parts":[[2022,8,18]]},"reference":[{"key":"2023081006103426500_c1","doi-asserted-by":"publisher","first-page":"52","DOI":"10.1016\/j.jphotochemrev.2017.12.001","article-title":"Multiple ionization and Coulomb explosion of molecules, molecular complexes, clusters and solid surfaces","volume":"34","year":"2018","journal-title":"J. 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