Accessing the Vibrational Signatures of Amino Acid Ions Embedded in Water Clusters

Voss, Jonathan M.; Fischer, Kaitlyn C.; Garand, Etienne

doi:10.1021/acs.jpclett.8b00738

Title: Accessing the Vibrational Signatures of Amino Acid Ions Embedded in Water Clusters

Journal Article · 15 April 2018 · Journal of Physical Chemistry Letters

DOI: https://doi.org/10.1021/acs.jpclett.8b00738 · OSTI ID:1434670

Voss, Jonathan M. ^[1]; Fischer, Kaitlyn C. ^[2];

^[2]

Univ. of Wisconsin-Madison, Madison, WI (United States); University of Wisconsin-Madison Department of Chemistry
Univ. of Wisconsin-Madison, Madison, WI (United States)

We present an infrared predissociation (IRPD) study of microsolvated GlyH⁺(H₂O)n and GlyH⁺(D₂O)n clusters, formed inside of a cryogenic ion trap via condensation of H₂O or D₂O onto the protonated glycine ions. The resulting IRPD spectra, showing characteristic O–H and O–D stretches, indicate that H/D exchange reactions are quenched when the ion trap is held at 80 K, minimizing the presence of isotopomers. Comparisons of GlyH⁺(H₂O)n and GlyH⁺(D₂O)n spectra clearly highlight and distinguish the vibrational signatures of the water solvent molecules from those of the core GlyH⁺ ion, allowing for quick assessment of solvation structures. Without the aid of calculations, we can already infer solvation motifs and the presence of multiple conformations. Furthermore, the use of a cryogenic ion trap to cluster solvent molecules around ions of interest and control H/D exchange reactions is broadly applicable and should be extendable to studies of more complex peptidic ions in large solvated clusters.

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Research Organization:: Univ. of Wisconsin-Madison, Madison, WI (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Grant/Contract Number:: SC0010326

OSTI ID:: 1434670

Journal Information:: Journal of Physical Chemistry Letters, Journal Name: Journal of Physical Chemistry Letters Vol. 9; ISSN 1948-7185

Publisher:: American Chemical SocietyCopyright Statement

Country of Publication:: United States

Language:: English

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