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Title: A dual cryogenic ion trap spectrometer for the formation and characterization of solvated ionic clusters

A new experimental approach is presented in which two separate cryogenic ion traps are used to reproducibly form weakly bound solvent clusters around electrosprayed ions and messenger-tag them for single-photon infrared photodissociation spectroscopy. This approach thus enables the vibrational characterization of ionic clusters comprised of a solvent network around large and non-volatile ions. We demonstrate the capabilities of the instrument by clustering water, methanol, and acetone around a protonated glycylglycine peptide. For water, cluster sizes with greater than twenty solvent molecules around a single ion are readily formed. We further demonstrate that similar water clusters can be formed around ions having a shielded charge center or those that do not readily form hydrogen bonds. Finally, infrared photodissociation spectra of D 2-tagged GlyGlyH +·(H 2O) 1–4 are presented. As a result, they display well-resolved spectral features and comparisons with calculations reveal detailed information on the solvation structures of this prototypical peptide.
Authors:
 [1] ;  [1] ;  [1]
  1. Univ. of Wisconsin, Madison, WI (United States)
Publication Date:
Grant/Contract Number:
SC0010326
Type:
Accepted Manuscript
Journal Name:
Journal of Chemical Physics
Additional Journal Information:
Journal Volume: 143; Journal Issue: 20; Journal ID: ISSN 0021-9606
Publisher:
American Institute of Physics (AIP)
Research Org:
Univ. of Wisconsin, Madison, WI (United States)
Sponsoring Org:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
OSTI Identifier:
1358401
Alternate Identifier(s):
OSTI ID: 1227169

Marsh, Brett M., Voss, Jonathan M., and Garand, Etienne. A dual cryogenic ion trap spectrometer for the formation and characterization of solvated ionic clusters. United States: N. p., Web. doi:10.1063/1.4936360.
Marsh, Brett M., Voss, Jonathan M., & Garand, Etienne. A dual cryogenic ion trap spectrometer for the formation and characterization of solvated ionic clusters. United States. doi:10.1063/1.4936360.
Marsh, Brett M., Voss, Jonathan M., and Garand, Etienne. 2015. "A dual cryogenic ion trap spectrometer for the formation and characterization of solvated ionic clusters". United States. doi:10.1063/1.4936360. https://www.osti.gov/servlets/purl/1358401.
@article{osti_1358401,
title = {A dual cryogenic ion trap spectrometer for the formation and characterization of solvated ionic clusters},
author = {Marsh, Brett M. and Voss, Jonathan M. and Garand, Etienne},
abstractNote = {A new experimental approach is presented in which two separate cryogenic ion traps are used to reproducibly form weakly bound solvent clusters around electrosprayed ions and messenger-tag them for single-photon infrared photodissociation spectroscopy. This approach thus enables the vibrational characterization of ionic clusters comprised of a solvent network around large and non-volatile ions. We demonstrate the capabilities of the instrument by clustering water, methanol, and acetone around a protonated glycylglycine peptide. For water, cluster sizes with greater than twenty solvent molecules around a single ion are readily formed. We further demonstrate that similar water clusters can be formed around ions having a shielded charge center or those that do not readily form hydrogen bonds. Finally, infrared photodissociation spectra of D2-tagged GlyGlyH+·(H2O)1–4 are presented. As a result, they display well-resolved spectral features and comparisons with calculations reveal detailed information on the solvation structures of this prototypical peptide.},
doi = {10.1063/1.4936360},
journal = {Journal of Chemical Physics},
number = 20,
volume = 143,
place = {United States},
year = {2015},
month = {11}
}