An integrated experimental and theoretical reaction path search: Analyses of the multistage reaction of an ionized diethylether dimer involving isomerization, proton transfer, and dissociation

研究成果: Article査読

3 被引用数 (Scopus)

抄録

An ionization-induced multistage reaction of an ionized diethylether (DEE) dimer involving isomerization, proton transfer, and dissociation is investigated by combining infrared (IR) spectroscopy, tandem mass spectrometry, and a theoretical reaction path search. The vertically-ionized DEE dimer isomerizes to a hydrogen-bonded cluster of protonated DEE and the [DEE-H] radical through barrierless intermolecular proton transfer from the CH bond of the ionized moiety. This isomerization process is confirmed by IR spectroscopy and the theoretical reaction path search. The multiple dissociation pathways following the isomerization are analyzed by tandem mass spectrometry. The isomerized cluster dissociates stepwise into a [protonated DEE-acetaldehyde (AA)] cluster, protonated DEE, and protonated AA. The structure of the fragment ion is also analyzed by IR spectroscopy. The reaction map of the multistage processes is revealed through a harmony of these experimental and theoretical methods.

本文言語English
ページ(範囲)14331-14338
ページ数8
ジャーナルPhysical Chemistry Chemical Physics
20
21
DOI
出版ステータスPublished - 2018

ASJC Scopus subject areas

  • 物理学および天文学(全般)
  • 物理化学および理論化学

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