Mode-specific fragmentation of amino acid-containing clusters

Physical Chemistry Chemical Physics : PCCP
W Scott HopkinsTerry B McMahon

Abstract

A combination of infrared multiple photon dissociation (IRMPD) spectroscopy and density functional theory calculations have been employed to study the structures and mode-specific dissociation pathways of the proton-bound dimer of 3-trifluoromethylphenylalanine (3-CF3-Phe) and trimethylamine (TMA). Three structural motifs are identified: canonical (charge-solvated), zwitterionic (charge-separated), and TMA-bridged. In the 1000-1350 cm(-1) region, similar spectra are observed in the TMA·H(+) and 3-CF3-Phe·H(+) product channels. At wavenumbers above 1350 cm(-1), infrared excitation of charge-solvated structures leads exclusively to production of protonated TMA, while excitation of zwitterionic or TMA-bridged structures results exclusively in production of protonated 3-CF3-Phe. The cluster potential energy landscape is topologically mapped and mechanisms for isomerization and mode-selective dissociation are proposed. In particular, cluster transparency as a result of IR-induced isomerization is implicated in deactivation of some IRMPD channels.

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May 3, 2014·The Journal of Physical Chemistry. a·W Scott HopkinsTerry B McMahon
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Oct 9, 2014·Physical Chemistry Chemical Physics : PCCP·Michael BurtTerry McMahon

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Citations

May 26, 2017·Physical Chemistry Chemical Physics : PCCP·Sung-Sik LeeHan Bin Oh
Dec 9, 2016·Physical Chemistry Chemical Physics : PCCP·Weiqiang FuW Scott Hopkins
Dec 10, 2016·Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry·Davide CorintiSimonetta Fornarini
Jan 23, 2016·Physical Chemistry Chemical Physics : PCCP·Christian IeritanoW Scott Hopkins
Oct 12, 2018·Physical Chemistry Chemical Physics : PCCP·Christian IeritanoW Scott Hopkins
May 3, 2019·The Journal of Chemical Physics·Davide CorintiMaria Elisa Crestoni
Jul 20, 2017·Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry·Antonello FilippiMaurizio Speranza
Sep 10, 2020·Molecules : a Journal of Synthetic Chemistry and Natural Product Chemistry·Jae-Ung LeeHan Bin Oh
Jun 17, 2021·Analytical Chemistry·Christian IeritanoW Scott Hopkins
Dec 16, 2017·The Journal of Physical Chemistry Letters·Patrick J J CarrW Scott Hopkins

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