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

Marsh, Brett M.; Voss, Jonathan M.; Garand, Etienne

doi:10.1063/1.4936360

Cited by 80 publications

(111 citation statements)

References 47 publications

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“…In addition, further research about compensation of hydration, outside the channel, with dehydration within the ion channel will be required to understand the entire picture of the ion selectivity. Recent development of a dual cryogenic ion trap spectrometer will enable studies of the stepwise hydration from dehydrated to hydrated clusters with tens of water molecules . Studies on hydrated GYG‐metal ion complexes using the dual trap machine are now in progress and will be reported in the near future.…”

Section: Discussionmentioning

confidence: 99%

Alkali and Alkaline Earth Metal Ions Complexes with a Partial Peptide of the Selectivity Filter in K⁺ Channels Studied by a Cold Ion Trap Infrared Spectroscopy

et al. 2020

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The infrared (IR) spectra of alkali and alkaline earth metal ion complexes with the Ac‐Tyr‐NHMe (GYG) peptide have been measured by laser photodissociation in a cold ion trap coupled with an electrospray mass spectrometer. The GYG peptide corresponds to a portion of the ion selectivity filter in the KcsA K+ channel that allows K+ to pass, but blocks Na+ even though it has a smaller ionic radius than K+. This current study extends a previous investigation on Na+ and K+ to the entire set of alkali metaI ions and alkaline earth dications. IR‐IR hole‐burning (IR2 dip) spectroscopy has established the coexistence of several conformers of the GYG‐metal ion complexes. The structures of the conformers were assigned by comparison between the isomer‐selected IR spectra and theoretical IR spectra obtained from quantum chemical calculations. It was found that the structure of the dominant conformer correlates with the ability of the ion to permeate through the K+ channel.

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Section: Discussionmentioning

confidence: 99%

Alkali and Alkaline Earth Metal Ions Complexes with a Partial Peptide of the Selectivity Filter in K⁺ Channels Studied by a Cold Ion Trap Infrared Spectroscopy

et al. 2020

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“…Moreover,o ur instrumenti sc apable of controlled solvation of ionic species with the use of an additional reactiont rap, [40] such that solvent-related effects such as structural changes upon hydrogen bonding with water solvents cana lso be studied. However,g iven the changes in the mass spectral features as af unction of V EC ,a sd iscussed above,t he identity of the m/z = 250.5 feature is mostl ikely [Ru(O)] 2 + .S ynthesis of the [Ru(H 2 O)] 2 + catalystf rom isotopically pure ruthenium should allow for such separation and enable the characterization of this species.…”

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confidence: 99%

Mass Spectrometric and Vibrational Characterization of Reaction Intermediates in [Ru(bpy)(tpy)(H₂O)]²⁺ Catalyzed Water Oxidation

et al. 2017

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Mass spectrometry coupled with an in-line electrochemical electrospray ionization source is used to capture some of the reactioni ntermediates formed in the [Ru(bpy)(tpy)(H 2 O)] 2 + (bpy = 2,2'-bipyridine, tpy = 2,2':6',2"-terpyridine) catalyzed water oxidation reaction. By controlling the appliede lectrochemicalp otential, we identified the parentc omplex, as well as the first two oxidation complexes, identifieda s[ Ru(bpy)-(tpy)(OH)] 2 + and [Ru(bpy)(tpy)(O)] 2 + .T he structures of the parenta nd first oxidationc omplexes are probedd irectly in the mass spectrometer by using infrared predissociation spectroscopy of D 2 -tagged ions. Comparisons between experimental vibrational spectra and density functional theory calculations confirmed the identity and structure of these two complexes. Moreover,t he frequencyo ft he OÀHs tretching mode in [Ru(bpy)(tpy)(OH)] 2 + shows that this complex features aR u-OH interaction that is more covalent than ionic.Studying reaction intermediates can provide fundamental insight into the mechanism of ac hemical reaction. However, such key reaction species are typically presenti no nly minor concentrations, necessitating as ensitive and selectivep robe, such as electrospray ionization mass spectrometry (ESI-MS). [1][2][3][4][5][6][7][8] MS identifies ions by their mass-to-charge (m/z)r atio, and with additional characterization tools such as collision-induced dissociation, can also provides ome structural information.C oupling spectroscopicc haracterization with MS, by schemes such as infraredm ultiple photon dissociation (IRMPD), [9] UV + IR resonant photodissociation, [10] and cryogenic ion vibrational predissociation (CIVP), [11] can further provide rich and detailed structural information as well as benchmarks fort heoretical methods used to characterizer eaction processes. ESI can be easily adapted to directly probe differenttypes of analytes. [12][13][14][15][16][17] Particularly,a ni n-line electrochemical (EC) cell can be coupled to an ESI source,s uch that intermediates and products formed under specific EC potentials can be sampled. Severale xamples of such EC-ESI experimentsh ave been previously demonstrated. [18][19][20][21] Herein, we present the application of an EC-ESI source to study the intermediates presenti nt he electrochemical water oxidation reaction catalyzed by the mononuclear ruthenium complex [22][23][24] [Ru(bpy)(tpy)(H 2 O)] 2 + (hereafter denoted as [Ru(H 2 O)] 2 + ;b py = 2,2'-bipyridine, tpy = 2,2':6',2"-terpyridine). This family of ruthenium complexess erves as ap rototypical single-metal-centerh omogeneous water oxidation catalyst, and has been the subjecto fn umerous studies. [4,5,22,[25][26][27][28][29][30] We show that we can selectively detectt he first two oxidized complexes in the proposed catalytic cycle by controlling the applied EC potential. We further probed the structures of these mass-selected species directly in the mass spectrometer by CIVP.T hisc ombination of approaches allows us to directly capture and characterize complexes form...

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“…The electronic spectra of protonated 1-and 2-aminonaphthalene (denoted 1-ANpH + and 2-ANpH + ) were obtained via ion photo-fragmentation spectroscopy in a cryogenically-cooled Paul trap. The set-up has been extensively described elsewhere 6 and is similar to those developed in various research groups 19,[32][33][34][35][36] based on the original concept of Wang and Wang 19,[37][38][39] .…”

Section: Introductionmentioning

confidence: 99%

Tautomerism and electronic spectroscopy of protonated 1- and 2-aminonaphthalene

Noble

Broquier

Grégoire

et al. 2018

Phys. Chem. Chem. Phys.

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Experimental and theoretical investigations of the excited states of protonated 1- and 2-aminonaphthalene are presented. The electronic spectra are obtained by laser induced photofragmentation of the ions captured in a cold ion trap. Using ab initio calculations, the electronic spectra can be assigned to different tautomers which have the proton on the amino group or on the naphthalene moiety. It is shown that the tautomer distribution can be varied by changing the electrospray source conditions, favoring either the most stable form in solution (amino protonation) or that in the gas phase (aromatic ring protonation). Calculations for larger amino-polyaromatics predict that these systems should behave as "proton sponges" i.e. have a proton affinity larger than 11 eV.

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

Cited by 80 publications

References 47 publications

Alkali and Alkaline Earth Metal Ions Complexes with a Partial Peptide of the Selectivity Filter in K⁺ Channels Studied by a Cold Ion Trap Infrared Spectroscopy

Alkali and Alkaline Earth Metal Ions Complexes with a Partial Peptide of the Selectivity Filter in K⁺ Channels Studied by a Cold Ion Trap Infrared Spectroscopy

Mass Spectrometric and Vibrational Characterization of Reaction Intermediates in [Ru(bpy)(tpy)(H₂O)]²⁺ Catalyzed Water Oxidation

Tautomerism and electronic spectroscopy of protonated 1- and 2-aminonaphthalene

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

Cited by 80 publications

References 47 publications

Alkali and Alkaline Earth Metal Ions Complexes with a Partial Peptide of the Selectivity Filter in K+ Channels Studied by a Cold Ion Trap Infrared Spectroscopy

Alkali and Alkaline Earth Metal Ions Complexes with a Partial Peptide of the Selectivity Filter in K+ Channels Studied by a Cold Ion Trap Infrared Spectroscopy

Mass Spectrometric and Vibrational Characterization of Reaction Intermediates in [Ru(bpy)(tpy)(H2O)]2+ Catalyzed Water Oxidation

Tautomerism and electronic spectroscopy of protonated 1- and 2-aminonaphthalene

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Alkali and Alkaline Earth Metal Ions Complexes with a Partial Peptide of the Selectivity Filter in K⁺ Channels Studied by a Cold Ion Trap Infrared Spectroscopy

Alkali and Alkaline Earth Metal Ions Complexes with a Partial Peptide of the Selectivity Filter in K⁺ Channels Studied by a Cold Ion Trap Infrared Spectroscopy

Mass Spectrometric and Vibrational Characterization of Reaction Intermediates in [Ru(bpy)(tpy)(H₂O)]²⁺ Catalyzed Water Oxidation