H2 roaming chemistry and the formation of H3+ from organic molecules in strong laser fields

Ekanayake, Nagitha; Severt, Travis; Nairat, Muath; Weingartz, Nicholas P.; Farris, Benjamin M.; Kaderiya, Balram; Feizollah, Peyman; Jochim, Bethany; Ziaee, Farzaneh; Borne, Kurtis; Raju P., Kanaka; Carnes, Kevin D.; Rolles, Daniel; Rudenko, Artem; Levine, Benjamin G.; Jackson, James E.; Ben-Itzhak, Itzik; Dantus, Marcos

doi:10.1038/s41467-018-07577-0

Title: H2 roaming chemistry and the formation of H3+ from organic molecules in strong laser fields

Journal Article · Sat Dec 01 00:00:00 EST 2018 · Nature Communications

DOI:https://doi.org/10.1038/s41467-018-07577-0· OSTI ID:1490277

^[1]; Severt, Travis ^[2];

^[1]; Weingartz, Nicholas P. ^[1]; Farris, Benjamin M. ^[1]; Kaderiya, Balram ^[2]; Feizollah, Peyman ^[2]; Jochim, Bethany ^[2]; Ziaee, Farzaneh ^[2]; Borne, Kurtis ^[2]; Raju P., Kanaka ^[2]; Carnes, Kevin D. ^[2]; Rolles, Daniel ^[2]; Rudenko, Artem ^[2]; Levine, Benjamin G. ^[1];

^[1]; Ben-Itzhak, Itzik ^[2];

^[3]

Michigan State Univ., East Lansing, MI (United States). Dept. of Chemistry
Kansas State Univ., Manhattan, KS (United States). J. R. Macdonald Lab., Physics Dept.
Michigan State Univ., East Lansing, MI (United States). Dept. of Chemistry, and Dept. of Physics and Astronomy

Roaming mechanisms, involving the brief generation of a neutral atom or molecule that stays in the vicinity before reacting with the remaining atoms of the precursor, are providing valuable insights into previously unexplained chemical reactions. Here in this paper, the mechanistic details and femtosecond time-resolved dynamics of H₃ + formation from a series of alcohols with varying primary carbon chain lengths are obtained through a combination of strong-field laser excitation studies and ab initio molecular dynamics calculations. For small alcohols, four distinct pathways involving hydrogen migration and H₂ roaming prior to H₃ + formation are uncovered. Despite the increased number of hydrogens and possible combinations leading to H₃ + formation, the yield decreases as the carbon chain length increases. The fundamental mechanistic findings presented here explore the formation of H₃ +, the most important ion in interstellar chemistry, through H₂ roaming occurring in ionic species.

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Research Organization:: Michigan State Univ., East Lansing, MI (United States); Kansas State Univ., Manhattan, KS (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

Grant/Contract Number:: SC0002325; FG02-86ER13491

OSTI ID:: 1490277

Journal Information:: Nature Communications, Vol. 9, Issue 1; ISSN 2041-1723

Publisher:: Nature Publishing GroupCopyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 52 works

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