Journal ArticleDOI
Characterization of the Hydrogen-Bonded Cluster Ions [Phenol−(H2O)n]+ (n = 1−4), (Phenol)2+, and (Phenol−Methanol)+ As Studied by Trapped Ion Infrared Multiphoton Dissociation Spectroscopy of Their OH Stretching Vibrations
TLDR
In this article, the HO stretching vibrations of hydrogen-bonded cluster ions of phenol (PhOH), [PhOH−(H2O)n]- (n = 1−4), (PhO−methanol)+ and [PhO+−H3O+n−1]- were observed with infrared photodissociation spectroscopy in combination with an ion-trapping technique.Abstract:
OH stretching vibrations of hydrogen-bonded cluster ions of phenol (PhOH), [PhOH−(H2O)n]+ (n = 1−4), (PhOH)2+, and (PhOH−methanol)+ have been observed with infrared photodissociation spectroscopy in combination with an ion-trapping technique. Cluster ions were efficiently generated by ionization of phenol followed by a jet expansion and were mass-selectively stored by the radio frequency ion trap method, which allows us to observe infrared multiphoton dissociation yield spectra of size-selected cluster ions. For [PhOH−(H2O)n]+, the OH stretching vibrations of the water moieties strongly suggested that the n ≥ 3 cluster ions exhibit the proton-transferred form, [PhO−H3O+(H2O)n-1], while the n = 1 and 2 ions are of the nontransferred form, [PhOH+−(H2O)n]. As for (PhOH)2+, the infrared spectra indicate that the dimer ion is characterized as the open form, in which the phenol ion acts as a proton donor and the neutral phenol as an acceptor through their single hydrogen bond. The similar open form is also foun...read more
Citations
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Journal ArticleDOI
Infrared spectroscopy to probe structure and dynamics in metal ion-molecule complexes
TL;DR: In this paper, the mechanism of the photodissociation process in the infrared and how multiphoton techniques or rare gas tagging can be employed to facilitate dissociation processes in strongly bound complexes are discussed.
Journal ArticleDOI
Free electron laser-Fourier transform ion cyclotron resonance mass spectrometry facility for obtaining infrared multiphoton dissociation spectra of gaseous ions
Jose Valle,John R. Eyler,Jos Oomens,David T. Moore,A.F.G. van der Meer,Gert von Helden,Gerard Meijer,Christopher L. Hendrickson,Alan G. Marshall,Gregory T. Blakney +9 more
TL;DR: In this article, a Fourier transform ion cyclotron resonance (FT-ICR) mass spectrometer has been installed at a free electron laser (FEL) facility to obtain infrared absorption spectra of gas phase ions by IRMPD.
Journal ArticleDOI
Reaction products in mass spectrometry elucidated with infrared spectroscopy.
Nick C. Polfer,Jos Oomens +1 more
TL;DR: It is shown that CID gives rise to linear fragment ion structures which have been proposed for some time, but also yields fully cyclical ring structures, which present a possible challenge for using tandem MS in the sequencing of peptides/proteins, as they can lead to a scrambling of the amino acid sequence information.
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7 Tunable infrared laser spectroscopy
R. F. Curl,F. K. Tittel +1 more
TL;DR: In this paper, the authors present a review of recent developments in tunable infrared laser sources, techniques for tunable laser infrared spectroscopy, and applications of tunable Infrared Laser Spectroscopy.
Journal ArticleDOI
IR Spectroscopy of Microsolvated Aromatic Cluster Ions: Ionization-Induced Switch in Aromatic Molecule–Solvent Recognition
TL;DR: In this article, an electron impact cluster ion source was used to generate the most stable isomer of a given cluster ion independent of its geometry, implying an ionization-induced switch in the preferred aromatic molecule-solvent recognition motif.
References
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Journal ArticleDOI
Evaluated Gas Phase Basicities and Proton Affinities of Molecules; Heats of Formation of Protonated Molecules
TL;DR: In this paper, the available data on gas phase basicities and proton affinities of molecules are compiled and evaluated, and tables giving the molecules ordered according to proton affinity and (2) according to empirical formula, sorted alphabetically are provided.
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Ab initio studies of cyclic water clusters (H2O)n, n=1–6. I. Optimal structures and vibrational spectra
TL;DR: In this article, the optimal structures and harmonic vibrational frequencies of cyclic water clusters, (H2O)n, have been determined at the Hartree-Fock and second order perturbation theory (for n=2-4) levels of theory with an augmented correlation consistent double zeta basis set.
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Ab initio studies of cyclic water clusters (H2O)n, n=1–6. II. Analysis of many‐body interactions
TL;DR: In this paper, the magnitudes of the two-through six-body energy terms and their contribution to the interaction energy of small ring water clusters were computed at the Hartree-Fock (HF) and second-through fourth-order many-body perturbation (MP2, MP4) levels of theory.
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Vibrational spectroscopy of the hydrated hydronium cluster ions H3O+·(H2O)n (n=1, 2, 3)
TL;DR: In this paper, a two color laser scheme consisting of a tunable cw infrared laser with 0.5 cm^−1 resolution used to excite the O−H stretching vibrations and a cw CO2 laser that dissociates the vibrationally excited cluster ion through a multiphoton process is presented.
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Infrared spectra of the solvated hydronium ion: Vibrational predissociation spectroscopy of mass-selected H3O+.cntdot.(H2O)n.cntdot.(H2)m
TL;DR: In this paper, the mass-selected clusters H{sub 3}O{sup + {sm bullet}(H{sub 2}O){sub n}{sm bullet}) and h{sub n} (n = 1,2, and 3) were observed by vibrational predissociation spectroscopy.