Bimolecular production of gas phase ionic hydrates by ion cyclotron resonance spectroscopy

Clair, R. L.; McMahon, T. B.

doi:10.1139/v80-135

Cited by 7 publications

(8 citation statements)

References 3 publications

(3 reference statements)

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“…The results obtained for reaction [3] are in good agreement with those of other authors using flowing afterglow (10, I I) and ion cyclotron resonance techniques (12). The only other determination of thermochemical data for reaction [4] is also in good agreement with the present result (10).…”

supporting

confidence: 91%

Bimolecular production of proton bound dimers in the gas phase. A low pressure ion cyclotron resonance technique for examination of solvent exchange equilibria and determination of single molecule solvation energetics

Larson¹,

Clair²,

McMahon³

1982

Can. J. Chem.

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A scheme is presented whereby sequences of fast bimolecular gas phase ion molecule reactions in mixtures containing (CHF2)2O may be used to generate proton bound dimer species at low pressures in an ion cyclotron resonance spectrometer. Using competitive solvent switching reactions it is demonstrated that solvent exchange equilibria may be readily established and from the thermochemical data derived from such equilibria accurate relative single molecule solvation energetics obtained.

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supporting

confidence: 91%

Bimolecular production of proton bound dimers in the gas phase. A low pressure ion cyclotron resonance technique for examination of solvent exchange equilibria and determination of single molecule solvation energetics

Larson¹,

Clair²,

McMahon³

1982

Can. J. Chem.

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“…For example, early work was conducted to study the thermochemistries of both homogeneous and heterogeneous proton-bound dimers. A series of ion-molecule reactions beginning with ionized 1,1,3,3-tetrafluorodimethyl ether were used to prepare the proton-bound dimers to circumvent the inefficiency of formation by association reactions in the low pressure confines of the FTICR cell (Claire & McMahon, 1980). Three plausible mechanisms for proton-bound dimer formation were advanced based upon reactivity arguments.…”

Section: Introductionmentioning

confidence: 99%

Infrared consequence spectroscopy of gaseous protonated and metal ion cationized complexes

Fridgen

2009

Mass Spectrometry Reviews

200

179

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In this article, the new and exciting techniques of infrared consequence spectroscopy (sometimes called action spectroscopy) of gaseous ions are reviewed. These techniques include vibrational predissociation spectroscopy and infrared multiple photon dissociation spectroscopy and they typically complement one another in the systems studied and the information gained. In recent years infrared consequence spectroscopy has provided long-awaited direct evidence into the structures of gaseous ions from organometallic species to strong ionic hydrogen bonded structures to large biomolecules. Much is being learned with respect to the structures of ions without their stabilizing solvent which can be used to better understand the effect of solvent on their structures. This review mainly covers the topics with which the author has been directly involved in research: structures of proton-bound dimers, protonated amino acids and DNA bases, amino acid and DNA bases bound to metal ions and, more recently, solvated ionic complexes. It is hoped that this review reveals the impact that infrared consequence spectroscopy has had on the field of gaseous ion chemistry.

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“…A second mechanism was proposed in which it was presumed that m / z 99 had the structure of a proton-bound dimer between difluorocarbene and formyl fluoride. Water then displaces formyl fluoride, producing a proton-bound dimer of water and difluorocarbene that then undergoes displacement of difluorocarbene by a second water molecule to yield H 5 O 2 + (Scheme ) . This second mechanism was proposed to account for the rapid production of H 5 O 2 + , because it involves a series of exchange reactions where H 2 O acts as a stronger base that can displace both formyl fluoride and difluorocarbene.…”

Section: Introductionmentioning

confidence: 99%

Infrared Multiphoton Dissociation Spectra as a Probe of Ion Molecule Reaction Mechanism: The Formation of the Protonated Water Dimer via Sequential Bimolecular Reactions with 1,1,3,3−Tetrafluorodimethyl Ether

2007

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The gas-phase ion-molecule reactions of 1,1,3,3-tetrafluorodimethyl ether and water have been examined using Fourier transform ion cyclotron resonance mass spectrometry, infrared multiphoton dissociation (IRMPD) spectroscopy, and ab initio molecular orbital calculations. This reaction sequence leads to the efficient bimolecular production of the proton-bound dimer of water (H5O2+). Evidence for the dominant mechanistic pathway involving the reaction of CF2H-O=CHF+, an ion of m/z 99, with water is presented. The primary channel occurs via nucleophilic attack of water on the ion of m/z 99 (CF2H-O=CHF+), to lose formyl fluoride and yield-protonated difluoromethanol (m/z 69). Association of a second water molecule with protonated difluoromethanol generates a reactive intermediate that decomposes via a 1,4-elimination to release hydrogen fluoride and yield the proton-bound dimer of water and formyl fluoride (m/z 67). Last, the elimination of formyl fluoride occurs by the association of a third water molecule to produce H5O2+ (m/z 37). The most probable isomeric forms of the ions with m/z 99 and 69 were found using IRMPD spectroscopy and electronic structure theory calculations. Thermochemical information for reactant, transition state, and product species was obtained using MP2(full)/6-311+G**//6-31G* level of theory.

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Bimolecular production of gas phase ionic hydrates by ion cyclotron resonance spectroscopy

Cited by 7 publications

References 3 publications

Bimolecular production of proton bound dimers in the gas phase. A low pressure ion cyclotron resonance technique for examination of solvent exchange equilibria and determination of single molecule solvation energetics

Bimolecular production of proton bound dimers in the gas phase. A low pressure ion cyclotron resonance technique for examination of solvent exchange equilibria and determination of single molecule solvation energetics

Infrared consequence spectroscopy of gaseous protonated and metal ion cationized complexes

Infrared Multiphoton Dissociation Spectra as a Probe of Ion Molecule Reaction Mechanism: The Formation of the Protonated Water Dimer via Sequential Bimolecular Reactions with 1,1,3,3−Tetrafluorodimethyl Ether

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