Spectroscopy of Reactive Complexes and Solvated Clusters: A Bottom-Up Approach Using Cryogenic Ion Traps

doi:10.1021/acs.jpca.8b05712

Title: Spectroscopy of Reactive Complexes and Solvated Clusters: A Bottom-Up Approach Using Cryogenic Ion Traps

Abstract

Here, applications of cryogenic ion traps for forming reaction intermediates and solvated clusters from precursor ions generated by electrospray ionization are presented and discussed. These studies are motivated by the aim of spectroscopically probing isolated complexes that exhibit higher levels of complexity in chemical compositions and intermolecular interactions, which make them more closely resemble the systems existing in real-world environments. Illustrative examples are provided to highlight the current capabilities, showcase the detailed information available in the spectroscopic results, and outline general future directions.

Authors:

^[1]

Department of Chemistry, University of Wisconsin—Madison, 1101 University Avenue, Madison, Wisconsin 53706, United States

Publication Date:: 2018-07-11

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

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES); National Science Foundation (NSF)

OSTI Identifier:: 1463034

Alternate Identifier(s):: OSTI ID: 1469205; OSTI ID: 1508602

Grant/Contract Number:: SC0010326; CHE-1454086

Resource Type:: Published Article

Journal Name:: Journal of Physical Chemistry. A, Molecules, Spectroscopy, Kinetics, Environment, and General Theory

Additional Journal Information:: Journal Name: Journal of Physical Chemistry. A, Molecules, Spectroscopy, Kinetics, Environment, and General Theory Journal Volume: 122 Journal Issue: 32; Journal ID: ISSN 1089-5639

Publisher:: American Chemical Society

Country of Publication:: United States

Language:: English

Subject:: 37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY

Citation Formats


                    Garand, Etienne. Spectroscopy of Reactive Complexes and Solvated Clusters: A Bottom-Up Approach Using Cryogenic Ion Traps.  United States: N. p., 2018. 
        Web.  doi:10.1021/acs.jpca.8b05712.

Copy to clipboard


                    Garand, Etienne. Spectroscopy of Reactive Complexes and Solvated Clusters: A Bottom-Up Approach Using Cryogenic Ion Traps.  United States.  doi:10.1021/acs.jpca.8b05712.

Copy to clipboard


                    Garand, Etienne. Wed .  
        "Spectroscopy of Reactive Complexes and Solvated Clusters: A Bottom-Up Approach Using Cryogenic Ion Traps".  United States.  doi:10.1021/acs.jpca.8b05712.

Copy to clipboard


                    
@article{osti_1463034,

  title        = {Spectroscopy of Reactive Complexes and Solvated Clusters: A Bottom-Up Approach Using Cryogenic Ion Traps},

  author       = {Garand, Etienne},

  abstractNote = {Here, applications of cryogenic ion traps for forming reaction intermediates and solvated clusters from precursor ions generated by electrospray ionization are presented and discussed. These studies are motivated by the aim of spectroscopically probing isolated complexes that exhibit higher levels of complexity in chemical compositions and intermolecular interactions, which make them more closely resemble the systems existing in real-world environments. Illustrative examples are provided to highlight the current capabilities, showcase the detailed information available in the spectroscopic results, and outline general future directions.},

  doi          = {10.1021/acs.jpca.8b05712},

  journal      = {Journal of Physical Chemistry. A, Molecules, Spectroscopy, Kinetics, Environment, and General Theory},

  number       = 32,

  volume       = 122,

  place        = {United States},

  year         = {2018},

  month        = {7}

}

Copy to clipboard

Journal Article:

Free Publicly Available Full Text

Publisher's Version of Record
DOI: 10.1021/acs.jpca.8b05712

Other availability

Search WorldCat to find libraries that may hold this journal

Citation Metrics:

Cited by: 4 works

Citation information provided by
Web of Science

Save / Share:

Export Metadata

Save to My Library

Works referencing / citing this record:

Electrospray ionization photoelectron spectroscopy of cryogenic [EDTA·M( ii )] 2− complexes (M = Ca, V–Zn): electronic structures and intrinsic redox properties
journal, January 2019

Yuan, Qinqin; Kong, Xiang-Tao; Hou, Gao-Lei
Faraday Discussions, Vol. 217
DOI: 10.1039/c8fd00175h

Electrospray ionization photoelectron spectroscopy of cryogenic [EDTA·M( ii )] 2− complexes (M = Ca, V–Zn): electronic structures and intrinsic redox properties
journal, January 2019

Yuan, Qinqin; Kong, Xiang-Tao; Hou, Gao-Lei
Faraday Discussions, Vol. 217
DOI: 10.1039/c8fd00175h

Identification of Active Sites and Structural Characterization of Reactive Ionic Intermediates by Cryogenic Ion Trap Vibrational Spectroscopy
journal, January 2019

Schwarz, Helmut; Asmis, Knut R.
Chemistry - A European Journal, Vol. 25, Issue 9
DOI: 10.1002/chem.201805836

High-resolution photoelectron imaging and resonant photoelectron spectroscopy via noncovalently bound excited states of cryogenically cooled anions
journal, January 2019

Zhu, Guo-Zhu; Wang, Lai-Sheng
Chemical Science, Vol. 10, Issue 41
DOI: 10.1039/c9sc03861b

Similar Records in DOE PAGES and OSTI.GOV collections:

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

Journal Article Marsh, Brett M. ; Voss, Jonathan M. ; Garand, Etienne - Journal of Chemical Physics

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 ionsmore »« less
Cited by 9
DOI: 10.1063/1.4936360

Full Text Available
A dual cryogenic ion trap spectrometer for the formation and characterization of solvated ionic clusters

Journal Article Marsh, Brett M. ; Voss, Jonathan M. ; Garand, Etienne - Journal of Chemical Physics

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 ionsmore »« less
DOI: 10.1063/1.4936360
Development of a low-temperature photoelectron spectroscopy instrument using an electrospray ion source and a cryogenically controlled ion trap

Journal Article Xuebin, Wang ; Laisheng, Wang - Review of Scientific Instruments

The ability to control ion temperatures is critical for gas phase spectroscopy and has been a challenge in chemical physics. A low-temperature photoelectron spectroscopy instrument has been developed for the investigation of complex anions in the gas phase, including multiply charged anions, solvated species, and biological molecules. The new apparatus consists of an electrospray ionization source, a three dimensional (3D) Paul trap for ion accumulation and cooling, a time-of-flight mass spectrometer, and a magnetic-bottle photoelectron analyzer. A key feature of the new instrument is the capability to cool and tune ion temperatures from 10 to 350 K in the 3Dmore »« less
DOI: 10.1063/1.2957610
Development of a Low-Temperature Photoelectron Spectroscopy Instrument Using an Electrospray Ion Source and a Cryogenically Controlled Ion Trap

Journal Article Wang, Xue B ; Wang, Lai S - Review of Scientific Instruments, 79(7):Art. No. 073108

The ability to control ion temperatures is critical for gas phase spectroscopy and has been a challenge in chemical physics. A low-temperature photoelectron spectroscopy instrument has been developed for the investigation of complex anions in the gas phase, including multiply charged anions, solvated species, and biological molecules. The new apparatus consists of an electrospray ionization source, a 3D Paul trap for ion accumulation and cooling, a time-of-flight mass spectrometer, and a magnetic-bottle photoelectron analyzer. A key feature of the new instrument is the capability to cool and tune ion temperatures from 10 to 350 K in the 3D Paul trap,more »« less
DOI: 10.1063/1.2957610
Cryogenic “Iodide-Tagging” Photoelectron Spectroscopy: A Sensitive Probe for Specific Binding Sites of Amino Acids

Journal Article Zhang, Hanhui ; Cao, Wenjin ; Yuan, Qinqin ; ... - Journal of Physical Chemistry Letters

This work showcases cryogenic and temperature-dependent “iodide-tagging” photoelectron spectroscopy to probe specific binding sites of amino acids using the glycine-iodide complex (Gly?I-) as a case study. Multiple Gly?I- isomers were generated from ambient electrospray ionization and kinetically isolated in a cryogenic ion trap. These structures were characterized with temperature-dependent “iodide-tagging” negative ion photoelectron spectroscopy (NIPES) where iodide was used as the “messenger” to interpret electronic energetics and structural information of various Gly?I- isomers. Accompanied by theoretical computations and Franck-Condon simulations, a total of five cluster structures have been identified along with their various binding motifs. This work demonstrates that “iodide-tagging”more »« less
DOI: 10.1021/acs.jpclett.0c01099

Similar Records

Title: Spectroscopy of Reactive Complexes and Solvated Clusters: A Bottom-Up Approach Using Cryogenic Ion Traps

Abstract

Citation Formats

Electrospray ionization photoelectron spectroscopy of cryogenic [EDTA·M( ii )] 2− complexes (M = Ca, V–Zn): electronic structures and intrinsic redox properties journal, January 2019

Electrospray ionization photoelectron spectroscopy of cryogenic [EDTA·M( ii )] 2− complexes (M = Ca, V–Zn): electronic structures and intrinsic redox properties journal, January 2019

Identification of Active Sites and Structural Characterization of Reactive Ionic Intermediates by Cryogenic Ion Trap Vibrational Spectroscopy journal, January 2019

High-resolution photoelectron imaging and resonant photoelectron spectroscopy via noncovalently bound excited states of cryogenically cooled anions journal, January 2019

Electrospray ionization photoelectron spectroscopy of cryogenic [EDTA·M( ii )] 2− complexes (M = Ca, V–Zn): electronic structures and intrinsic redox properties
journal, January 2019

Electrospray ionization photoelectron spectroscopy of cryogenic [EDTA·M( ii )] 2− complexes (M = Ca, V–Zn): electronic structures and intrinsic redox properties
journal, January 2019

Identification of Active Sites and Structural Characterization of Reactive Ionic Intermediates by Cryogenic Ion Trap Vibrational Spectroscopy
journal, January 2019

High-resolution photoelectron imaging and resonant photoelectron spectroscopy via noncovalently bound excited states of cryogenically cooled anions
journal, January 2019