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

Abstract

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{sub 2}-tagged GlyGlyH{sup +} ⋅ (H{sub 2}O){sub 1−4} are presented. They display well-resolved spectral features and comparisons with calculations reveal detailed information on the solvation structures of this prototypical peptide.

Authors:
; ;  [1]
  1. Department of Chemistry, University of Wisconsin-Madison, 1101 University Avenue, Madison, Wisconsin 53706 (United States)
Publication Date:
OSTI Identifier:
22493268
Resource Type:
Journal Article
Journal Name:
Journal of Chemical Physics
Additional Journal Information:
Journal Volume: 143; Journal Issue: 20; Other Information: (c) 2015 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA); Journal ID: ISSN 0021-9606
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY; ABSORPTION SPECTROSCOPY; ACETONE; COMPARATIVE EVALUATIONS; DISSOCIATION; GLYCYLGLYCINE; HYDROGEN; INFRARED SPECTRA; IONS; METHANOL; MOLECULES; PHOTOLYSIS; PHOTONS; SOLVATION; SOLVENTS; TRAPS; VOLATILITY; WATER

Citation Formats

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., 2015. 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. https://doi.org/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. https://doi.org/10.1063/1.4936360.
@article{osti_22493268,
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 D{sub 2}-tagged GlyGlyH{sup +} ⋅ (H{sub 2}O){sub 1−4} are presented. 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},
url = {https://www.osti.gov/biblio/22493268}, journal = {Journal of Chemical Physics},
issn = {0021-9606},
number = 20,
volume = 143,
place = {United States},
year = {Sat Nov 28 00:00:00 EST 2015},
month = {Sat Nov 28 00:00:00 EST 2015}
}

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