Author
Yoshiya Inokuchi
Bio: Yoshiya Inokuchi is an academic researcher from Tohoku University. The author has contributed to research in topics: Absorption spectroscopy & Laser-induced fluorescence. The author has an hindex of 2, co-authored 2 publications receiving 58 citations.
Papers
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TL;DR: In this paper, cluster geometries are optimized and vibrational frequencies are evaluated by density functional theory calculation, and the most stable isomer of [Mg·(H2O)4]- has a six-membered ring composed of the Mg+ ion, two of the three water molecules in the first solvation shell; the fourth molecule is bonded to the first Solvation shell.
Abstract: Infrared photodissociation spectra of [Mg·(H2O)1-4]+ and [Mg·(H2O)1-4·Ar]+ are measured in the 3000−3800 cm-1 region For [Mg·(H2O)1-4]+, cluster geometries are optimized and vibrational frequencies are evaluated by density functional theory calculation We determine cluster structures of [Mg·(H2O)1-4]+ by comparison of the infrared photodissociation spectra with infrared spectra calculated for optimized structures of [Mg·(H2O)1-4]+ In the [Mg·(H2O)1-3]+ ions, all the water molecules are directly bonded to the Mg+ ion The infrared photodissociation spectra of [Mg·(H2O)4]+ and [Mg·(H2O)4·Ar]+ show bands due to hydrogen-bonded OH stretching vibrations in the 3000−3450 cm-1 region In the [Mg·(H2O)4]+ ion, three water molecules are attached to the Mg+ ion, forming the first solvation shell; the fourth molecule is bonded to the first solvation shell As a result, the most stable isomer of [Mg·(H2O)4]+ has a six-membered ring composed of the Mg+ ion, two of the three water molecules in the first solvation sh
57 citations
TL;DR: In this article, the degenerate four-wave mixing (DFWM) and two-color laser induced grating (TC-LIG) spectroscopy were used to measure the electronic spectra of gaseous benzene and monosubstituted benzenes.
3 citations
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TL;DR: The data indicate that essentially all of the water molecules are in a hydrogen-bonded network by the size of n = 10, and there is no evidence for the formation of clathrate structures seen recently via IR spectroscopy of protonated water clusters.
Abstract: Infrared photodissociation spectroscopy is reported for mass-selected Ni+(H2O)n complexes in the O−H stretching region up to cluster sizes of n = 25. These clusters fragment by the loss of one or more intact water molecules, and their excitation spectra show distinct bands in the region of the symmetric and asymmetric stretches of water. The first evidence for hydrogen bonding, indicated by a broad band strongly red-shifted from the free OH region, appears at the cluster size of n = 4. At larger cluster sizes, additional red-shifted structure evolves over a broader wavelength range in the hydrogen-bonding region. In the free OH region, the symmetric stretch gradually diminishes in intensity, while the asymmetric stretch develops into a closely spaced doublet near 3700 cm-1. The data indicate that essentially all of the water molecules are in a hydrogen-bonded network by the size of n = 10. However, there is no evidence for the formation of clathrate structures seen recently via IR spectroscopy of protonat...
126 citations
TL;DR: This paper will focus on the major areas of research initiated by the Yuan T. Lee group and how these studies stimulated and influenced others in what is currently a vibrant and growing field of ionic clusters.
Abstract: Beginning in the mid-1980s, a number of innovative experimental studies on ionic clusters emerged from the laboratory of Yuan T. Lee combining infrared laser spectroscopy and tandem mass spectrometry. Coupled with modern electronic structure calculations, this research explored many facets of ionic clusters including solvation, structure, and dynamics. These efforts spawned a resurgence in gas-phase cluster spectroscopy. This paper will focus on the major areas of research initiated by the Lee group and how these studies stimulated and influenced others in what is currently a vibrant and growing field.
86 citations
TL;DR: In this paper, the authors present a review of metal-containing cluster ions to date and discuss future opportunities for infrared spectroscopy of these ion species and discuss the potential for future developments.
Abstract: Studies of gas phase M+(L)n cluster ions (where M is a metal atom and L is a ligand molecule) assist our understanding of solvation and chemical processes that involve metal ions. The recent development of pulsed, tuneable OPO (optical parametric oscillator) sources capable of generating infrared light at frequencies between 1000 and 4000 cm−1 has allowed the vibrational spectra of many species to be assigned for the first time. This perspective reviews infrared spectroscopy of metal-containing cluster ions to date and discusses future opportunities.
83 citations
TL;DR: Infrared laser action spectroscopy in a Fourier-transform ion cyclotron resonance mass spectrometer is used in conjunction with ab initio calculations to investigate doubly charged, hydrated clusters of calcium formed by electrospray ionization to probe the structures of hydrated ions.
Abstract: Infrared laser action spectroscopy in a Fourier-transform ion cyclotron resonance mass spectrometer is used in conjunction with ab initio calculations to investigate doubly charged, hydrated clusters of calcium formed by electrospray ionization. Six water molecules coordinate directly to the calcium dication, whereas the seventh water molecule is incorporated into a second salvation shell. Spectral features indicate the presence of multiple structures of Ca(H 2 O) 2+ 7 in which outer-shell water molecules accept either one (single acceptor) or two (double acceptor) hydrogen bonds from inner-shell water molecules. Double-acceptor water molecules are predominately observed in the second solvent shells of clusters containing eight or nine water molecules. Increased hydration results in spectroscopic signatures consistent with additional second-shell water molecules, particularly the appearance of inner-shell water molecules that donate two hydrogen bonds (double donor) to the second solvent shell. This is the first reported use of infrared spectroscopy to investigate shell structure of a hydrated multiply charged cation in the gas phase and illustrates the effectiveness of this method to probe the structures of hydrated ions.
83 citations
TL;DR: These results comprise the most extensive vibrational spectroscopic study yet performed on metal ion hydration in the gas phase and provide insights into metal ion solvation in bulk and interfacial environments.
Abstract: Infrared laser action spectroscopy is used to characterize divalent calcium ions solvated by up to 69 water molecules. The spectrum for Ca2+(H2O)12 indicates that in the predominant structure, eight inner-shell water molecules solvate the metal ion and donate one hydrogen bond to one of four second-shell, double-acceptor water molecules. Eight-coordinate solvation is consistent with results from many condensed-phase studies, and contrasts with results for smaller gas-phase clusters that are most consistent with six-coordinate solvation. Each water molecule in this structure of Ca2+(H2O)12 coordinates with two other members of the cluster. With increasing cluster size, the number of two-coordinate water molecules decreases, whereas that of three-coordinate water molecules increases. The number of one-coordinate water molecules increases until n ≈ 18, but they are essentially depleted by n ≈ 30. Spectra of the largest clusters, which have effective concentrations of divalent calcium that are less than 1 M, ...
80 citations