Infrared spectroscopy of organometallic ions in the gas phase: From model to real world complexes

MacAleese, Luke; Maı̂tre, Philippe

doi:10.1002/mas.20138

Cited by 276 publications

(251 citation statements)

References 147 publications

(226 reference statements)

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“…As well, high collision voltages typically result in less cluster ions making it to the ICR cell. In Figure 2a, the effect of collision voltage is shown on the fraction of solvated (Thy) 2 Li ϩ , defined as the intensity of (Thy) 2 Li ϩ (H 2 O) divided by the sum of (Thy) 2 Li ϩ (H 2 O) and (Thy) 2 Li ϩ intensities. After a few tenths of a volt collision energy the fraction of solvated ions drops off fairly linearly.…”

Section: Resultsmentioning

confidence: 99%

“…After a few tenths of a volt collision energy the fraction of solvated ions drops off fairly linearly. The total ion intensity (only (Thy) 2 Li ϩ and its solvated analogue) is also plotted. The total ion intensity increases slightly from 0 to ϳ2 V, then drops off markedly.…”

Section: Resultsmentioning

confidence: 99%

“…. The structural properties are typically deduced from fundamental studies of their thermochemistries, reactivities, and more recently, the vibrational spectroscopy of gaseous ions [2]. The ultimate purpose and challenge for studying the physical properties of sequentially solvated ions is to extrapolate to, or contrast these properties with, those in the solution phase especially for biologically interesting ions.…”

mentioning

confidence: 99%

“…Following their isolation in the FTICR, they can be investigated by studying their unimolecular blackbody infrared radiative dissociation (BIRD) or infrared multiple photon dissociation (IRMPD) spectroscopy. The IRMPD spectra for (Ade) 2 Li ϩ and (Ade) 2 tudies of solvated ions in the gas phase provide information about the preferred coordination of ions by solvent molecules and their conformational geometries and changes of geometry upon solvation [1]. The structural properties are typically deduced from fundamental studies of their thermochemistries, reactivities, and more recently, the vibrational spectroscopy of gaseous ions [2].…”

mentioning

confidence: 99%

“…The IRMPD spectra for (Ade) 2 Li ϩ and (Ade) 2 tudies of solvated ions in the gas phase provide information about the preferred coordination of ions by solvent molecules and their conformational geometries and changes of geometry upon solvation [1]. The structural properties are typically deduced from fundamental studies of their thermochemistries, reactivities, and more recently, the vibrational spectroscopy of gaseous ions [2]. The ultimate purpose and challenge for studying the physical properties of sequentially solvated ions is to extrapolate to, or contrast these properties with, those in the solution phase especially for biologically interesting ions.…”

mentioning

confidence: 99%

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Solvation of electrosprayed ions in the accumulation/collision hexapole of a hybrid Q-FTMS

Rajabi

Easterling

Fridgen

2009

J. Am. Soc. Mass Spectrom.

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In an effort to spectroscopically determine the structures of solvated ions composed of nucleic acid bases and amino acids, methods for their gas-phase synthesis have been studied. Ions were electrosprayed and solvated in the accumulation cell of a hybrid Q-FTICR filled with methanol or water vapor at ϳ10 Ϫ2 bar. There were subsequently transferred to the FTICR cell at 10 Ϫ10 mbar. Following their isolation in the FTICR, they can be investigated by studying their unimolecular blackbody infrared radiative dissociation (BIRD) or infrared multiple photon dissociation (IRMPD) spectroscopy. The IRMPD spectra for (Ade) 2 Li ϩ and (Ade) 2 Li(H 2 O) ϩ are reported and compared as well as BIRD rate constants for multiply solvated and metalated adenine ions. . The structural properties are typically deduced from fundamental studies of their thermochemistries, reactivities, and more recently, the vibrational spectroscopy of gaseous ions [2]. The ultimate purpose and challenge for studying the physical properties of sequentially solvated ions is to extrapolate to, or contrast these properties with, those in the solution phase especially for biologically interesting ions. Mass spectrometry has become a powerful technique for investigating biomolecules following the development of electrospray ionization (ESI) [3] and matrix-assisted laser desorption/ionization (MALDI) [4 -6]. Noncovalently bound biological complexes can be transferred from aqueous solutions to the gas phase by ESI for further study of the completely desolvated complex. In some instances a small amount of solvated ions have been reported from electrospray allowing the structure, reactivity and thermochemistry of the hydrated ions to be studied [7]. Lee et al.[8] studied extensively hydrated peptides from an electrospray source by operating the capillary at room-temperature, with no nebulizer or drying gas, and optimizing the potentials in the electrospray source. These ions were found to be cooled to between 130 and 150 K by evaporation of water without drying gas, effectively freezing the biomolecules. RodriguezCruz et al. [9] studied doubly protonated gramicidin S ions with up to 50 water molecules attached in a modified instrument with a home-built electrospray source equipped with a heated capillary inlet. They formed the ions under "gentle" electrospray conditions and later described two possible mechanisms for formation of hydrated ions by ESI [10], condensation of solvent onto ions due to expansion inside the ESI interface, and/or solvent evaporation of more extensively hydrated ions or electrospray droplets. The extent of hydration of gas-phase gramicidin S (M ϩ 2H) 2ϩ ions was observed to decrease with an increase in the temperature of the capillary.Rodriguez-Cruz and Williams [11] also studied solvent exchange reactions of hydrated divalent alkaline earth metals with benzene by ESI Fourier-Transform mass spectrometry (FTMS) at room temperature. Aqueous solutions of metal chloride salts were introduced to the mass spectrometer by nanoelectrospray. Me...

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Section: Resultsmentioning

confidence: 99%

Section: Resultsmentioning

confidence: 99%

mentioning

confidence: 99%

mentioning

confidence: 99%

mentioning

confidence: 99%

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Solvation of electrosprayed ions in the accumulation/collision hexapole of a hybrid Q-FTMS

Rajabi

Easterling

Fridgen

2009

J. Am. Soc. Mass Spectrom.

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Mass Spectrometry and Gas‐Phase Ion Chemistry of Organomanganese Complexes

Palii

Zagorevskii

2011

Patai's Chemistry of Functional Groups

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This review (782 references) represents an exhaustive up‐to‐date survey of literature on mass spectrometry and gas‐phase ion chemistry of organomanganese complexes. Fundamental physico‐chemical characteristics of organomanganese ionic species, as well as the gas‐phase reactions resulting in the dissociation or formation of manganese‐carbon bond(s) are examined. Circa 300 examples of ion/molecule reactions characterizing the reactivity of Mn + , positively or negatively charged manganese clusters, as well as neutrals, cations and anions of various Mn‐containing species (including coordinatively unsaturated ones) are summarized. A variety of studies involving tandem mass spectrometry, neutralization‐reionization mass spectrometry, collision‐induced dissociation, multiple‐photon dissociation, IRMPD spectroscopy and theoretical calculations for organomanganese ion structure characterization are discussed. Additionally, analytical applications of mass spectrometric techniques to the characterization of compounds containing a MnC bond are reviewed. These include a number of relatively simple mononuclear complexes, polynuclear clusters, complexes incorporating organometallic units bridged with organic fragment(s), bifunctional compounds containing organometallic and classical Werner‐type coordination sites, fullerenes or planar polyaromatic hydrocarbons with an organomanganese fragment attached to them, manganospiralenes, manganoscorpionates, supramolecular entities, cymantrene‐peptide bioconjugates, etc.

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Mass Spectrometry and Gas‐phase Ion Chemistry of Metal–phenolate and Metal–phenol complexes

Palii

Indricean

Revenco

2014

Patai's Chemistry of Functional Groups

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The current chapter summarizes 276 references to offer an up‐to‐date survey of literature on the mass spectrometry and gas‐phase ion chemistry of phenolate‐ or phenol‐containing metal complexes and their chalcogenide thio‐ and seleno‐analogs. Analytical applications of MS techniques to the characterization of these metal–ligand systems are discussed. The latter include more than 400 species such as mixed‐ligand metal complexes, bifunctional compounds containing organometallic and classical Werner‐type coordination sites, nanoclusters, species with metal–metal bonds, mixed‐metal complexes, etc. Some of them are isomers. The reviewed data provides the reader with a solid foundation for selecting the adequate MS instrumentation in related future studies. Data on gas‐phase ion structure, energetics and reactivity are summarized as well. Circa 150 examples of ion/molecule reactions with the participation of metal‐containing ions and phenol or thiophenol derivatives are examined. Additionally, the review addresses the 3D structural features of several model complexes between metal ions and phenol‐ or thiophenol‐related species as determined from theoretical calculations and IRMPD spectroscopic measurements, as well as their use for elucidation of the nature of metal cation–π interaction or σ‐binding, which mimic the active centers of biomolecular systems.

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Infrared spectroscopy of organometallic ions in the gas phase: From model to real world complexes

Cited by 276 publications

References 147 publications

Solvation of electrosprayed ions in the accumulation/collision hexapole of a hybrid Q-FTMS

Solvation of electrosprayed ions in the accumulation/collision hexapole of a hybrid Q-FTMS

Mass Spectrometry and Gas‐Phase Ion Chemistry of Organomanganese Complexes

Mass Spectrometry and Gas‐phase Ion Chemistry of Metal–phenolate and Metal–phenol complexes

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