Timing of charge migration in betaine by impact of fast atomic ions
The way molecules break after ion bombardment is intimately related to the early electron dynamics generated in the system, in particular, charge (or electron) migration. We exploit the natural positive-negative charge splitting in the zwitterionic molecule betaine to selectively induce double elect...
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| creator | Rousseau, Patrick González-Vázquez, Jesús Piekarski, Dariusz G Kopyra, Janina Domaracka, Alicja Alcamí, Manuel Adoui, Lamri Huber, Bernd A Díaz-Tendero, Sergio Martín, Fernando |
| description | The way molecules break after ion bombardment is intimately related to the early electron dynamics generated in the system, in particular, charge (or electron) migration. We exploit the natural positive-negative charge splitting in the zwitterionic molecule betaine to selectively induce double electron removal from its negatively charged side by impact of fast O
ions. The loss of two electrons in this localized region of the molecular skeleton triggers a competition between direct Coulomb explosion and charge migration that is examined to obtain temporal information from ion-ion coincident measurements and nonadiabatic molecular dynamics calculations. We find a charge migration time, from one end of the molecule to the other, of approximately 20 to 40 femtoseconds. This migration time is longer than that observed in molecules irradiated by ultrashort light pulses and is the consequence of charge migration being driven by adiabatic nuclear dynamics in the ground state of the molecular dication. |
| doi_str_mv | 10.1126/sciadv.abg9080 |
| format | Article |
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ions. The loss of two electrons in this localized region of the molecular skeleton triggers a competition between direct Coulomb explosion and charge migration that is examined to obtain temporal information from ion-ion coincident measurements and nonadiabatic molecular dynamics calculations. We find a charge migration time, from one end of the molecule to the other, of approximately 20 to 40 femtoseconds. This migration time is longer than that observed in molecules irradiated by ultrashort light pulses and is the consequence of charge migration being driven by adiabatic nuclear dynamics in the ground state of the molecular dication.</description><identifier>ISSN: 2375-2548</identifier><identifier>EISSN: 2375-2548</identifier><identifier>DOI: 10.1126/sciadv.abg9080</identifier><identifier>PMID: 34597129</identifier><language>eng</language><publisher>United States: American Association for the Advancement of Science (AAAS)</publisher><subject>Chemical Physics ; Physical and Materials Sciences ; Physics ; SciAdv r-articles</subject><ispartof>Science advances, 2021-10, Vol.7 (40), p.eabg9080-eabg9080</ispartof><rights>Distributed under a Creative Commons Attribution 4.0 International License</rights><rights>Copyright © 2021 The Authors, some rights reserved; exclusive licensee American Association for the Advancement of Science. No claim to original U.S. Government Works. Distributed under a Creative Commons Attribution NonCommercial License 4.0 (CC BY-NC). 2021 The Authors</rights><lds50>peer_reviewed</lds50><oa>free_for_read</oa><woscitedreferencessubscribed>false</woscitedreferencessubscribed><citedby>FETCH-LOGICAL-c425t-dd7aea0bf2c5a904505c298f57ea386c6a31cbe3674959643a13d58e76d6a0d33</citedby><cites>FETCH-LOGICAL-c425t-dd7aea0bf2c5a904505c298f57ea386c6a31cbe3674959643a13d58e76d6a0d33</cites><orcidid>0000-0001-7217-2707 ; 0000-0001-6213-5267 ; 0000-0003-2204-3549 ; 0000-0003-1220-1902 ; 0000-0001-6703-4297 ; 0000-0001-6253-6343 ; 0000-0002-7529-925X ; 0000-0003-1585-2436 ; 0000-0002-3753-5215</orcidid></display><links><openurl>$$Topenurl_article</openurl><openurlfulltext>$$Topenurlfull_article</openurlfulltext><thumbnail>$$Tsyndetics_thumb_exl</thumbnail><linktopdf>$$Uhttps://www.ncbi.nlm.nih.gov/pmc/articles/PMC10938492/pdf/$$EPDF$$P50$$Gpubmedcentral$$Hfree_for_read</linktopdf><linktohtml>$$Uhttps://www.ncbi.nlm.nih.gov/pmc/articles/PMC10938492/$$EHTML$$P50$$Gpubmedcentral$$Hfree_for_read</linktohtml><link.rule.ids>230,314,727,780,784,864,885,27924,27925,53791,53793</link.rule.ids><backlink>$$Uhttps://www.ncbi.nlm.nih.gov/pubmed/34597129$$D View this record in MEDLINE/PubMed$$Hfree_for_read</backlink><backlink>$$Uhttps://hal.science/hal-03363681$$DView record in HAL$$Hfree_for_read</backlink></links><search><creatorcontrib>Rousseau, Patrick</creatorcontrib><creatorcontrib>González-Vázquez, Jesús</creatorcontrib><creatorcontrib>Piekarski, Dariusz G</creatorcontrib><creatorcontrib>Kopyra, Janina</creatorcontrib><creatorcontrib>Domaracka, Alicja</creatorcontrib><creatorcontrib>Alcamí, Manuel</creatorcontrib><creatorcontrib>Adoui, Lamri</creatorcontrib><creatorcontrib>Huber, Bernd A</creatorcontrib><creatorcontrib>Díaz-Tendero, Sergio</creatorcontrib><creatorcontrib>Martín, Fernando</creatorcontrib><title>Timing of charge migration in betaine by impact of fast atomic ions</title><title>Science advances</title><addtitle>Sci Adv</addtitle><description>The way molecules break after ion bombardment is intimately related to the early electron dynamics generated in the system, in particular, charge (or electron) migration. We exploit the natural positive-negative charge splitting in the zwitterionic molecule betaine to selectively induce double electron removal from its negatively charged side by impact of fast O
ions. The loss of two electrons in this localized region of the molecular skeleton triggers a competition between direct Coulomb explosion and charge migration that is examined to obtain temporal information from ion-ion coincident measurements and nonadiabatic molecular dynamics calculations. We find a charge migration time, from one end of the molecule to the other, of approximately 20 to 40 femtoseconds. 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ions. The loss of two electrons in this localized region of the molecular skeleton triggers a competition between direct Coulomb explosion and charge migration that is examined to obtain temporal information from ion-ion coincident measurements and nonadiabatic molecular dynamics calculations. We find a charge migration time, from one end of the molecule to the other, of approximately 20 to 40 femtoseconds. This migration time is longer than that observed in molecules irradiated by ultrashort light pulses and is the consequence of charge migration being driven by adiabatic nuclear dynamics in the ground state of the molecular dication.</abstract><cop>United States</cop><pub>American Association for the Advancement of Science (AAAS)</pub><pmid>34597129</pmid><doi>10.1126/sciadv.abg9080</doi><orcidid>https://orcid.org/0000-0001-7217-2707</orcidid><orcidid>https://orcid.org/0000-0001-6213-5267</orcidid><orcidid>https://orcid.org/0000-0003-2204-3549</orcidid><orcidid>https://orcid.org/0000-0003-1220-1902</orcidid><orcidid>https://orcid.org/0000-0001-6703-4297</orcidid><orcidid>https://orcid.org/0000-0001-6253-6343</orcidid><orcidid>https://orcid.org/0000-0002-7529-925X</orcidid><orcidid>https://orcid.org/0000-0003-1585-2436</orcidid><orcidid>https://orcid.org/0000-0002-3753-5215</orcidid><oa>free_for_read</oa></addata></record> |
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| title | Timing of charge migration in betaine by impact of fast atomic ions |
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