Journal
JOURNAL OF PHYSICAL CHEMISTRY A
Volume 117, Issue 41, Pages 10714-10718Publisher
AMER CHEMICAL SOC
DOI: 10.1021/jp407766j
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Funding
- Natural Sciences and Engineering Research Council (NSERC) of Canada
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The structures and dissociation pathways of the proton-bound 3-cyanophenylalanine.trimethylamine cluster have been studied using a combination of infrared multiple photon dissociation (IRMPD) spectroscopy and density functional theory calculations. Three isomer motifs are identified: charge-solvated, zwitterionic, and trimethylamine (TMA)-bridged. While the TMA-bridged structures fragment to yield protonated TMA (channel 1) and protonated 3-cyanophenylalanine (channel 2), charge-solvated species exclusively fragment via channel 1 and zwitterionic species exclusively fragment via channel 2. Mechanisms are proposed.
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