Infrared photodissociation spectroscopy of [Aniline-(Water)n]+ (n = 1-8): Structural change from branched and cyclic to proton-transferred forms
Yoshiya Inokuchi,Kazuhiko Ohashi,Yoshiki Honkawa,Norifumi Yamamoto,Hiroshi Sekiya,Nobuyuki Nishi +5 more
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In this article, the infrared photodissociation spectra of [aniline−(H2O)n]- (n = 1−8) are measured in the 2700−3800 cm-1 region.Abstract:
Infrared photodissociation spectra of [aniline−(H2O)n]+ (n = 1−8) are measured in the 2700−3800 cm-1 region. The spectra are interpreted with the aid of density functional theory calculations. The n = 1 ion has an N−H···O hydrogen bond. The spectrum of the n = 2 ion demonstrates a large perturbation to both of the NH oscillators, indicating the 1−1 structure where each NH bond is bound to a water molecule. For the n = 3 ion, the calculated spectrum of the 2−1 branched structure coincides well with the observed one. For the n = 4 ion, there exist three strong bands at 2960, 3100, and 3430 cm-1, as well as a very weak one at 3550 cm-1. The observed spectrum in the 3600−3800 cm-1 region is decomposed into four bands centered at 3640, 3698, 3710, and 3734 cm-1. The 2−2 branched isomer is responsible for all the features except the 3550 and 3710 cm-1 bands. These two bands are due to another isomer with a five-membered ring. An infrared band characteristic of the n = 5 ion appears at 3684 cm-1, which is not se...read more
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Infrared photodissociation spectroscopy of [Mg·(H2O) 1-4]+ and [Mg·(H2O) 1-4·Ar]+
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.
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Structures of [Mg·(H2O)1,2]+ and [Al·(H2O)1,2]+ ions studied by infrared photodissociation spectroscopy: Evidence of [HO-Al-H]+ ion core structure in [Al·(H2O)2]+
TL;DR: In this paper, the authors measured the infrared spectra of [Mg·-H2O)1,2]- and [Al·−(H 2O)2]- ion and assigned a band at 3200-3800 cm−1.
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Microhydrated aromatic cluster cations: Binding motifs of 4-aminobenzonitrile-(H2O)n cluster cations with n ≤ 4
TL;DR: The potential of the ABN(+)-H2O dimer is characterized in detail and supports the cluster growth derived from the IRPD spectra, and the formation of a solvent network stabilized by strong cooperative effects is favored over interior ion hydration which is destabilized by noncooperative effects.
References
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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 H+(H2O)5-8 Clusters: Evidence for Symmetric Proton Hydration
Jyh-Chiang Jiang,Yi-Sheng Wang,Hai-Chou Chang,Sheng H. Lin,Yuan T. Lee,Gereon Niedner-Schatteburg,Huan-Cheng Chang +6 more
TL;DR: In this article, a vibrational predissociation spectroscopy and ab initio calculations of protonated water clusters from a supersonic expansion were performed at the B3LYP/6-31+G* level.
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Structures and Isomeric Transitions of NH4+(H2O)3-6: From Single to Double Rings
TL;DR: In this paper, a vibrational predissociation spectroscopy (VPS) was used to identify cyclic and noncyclic isomers in the supersonic jet.
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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
TL;DR: 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.
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Infrared spectroscopy of resonantly ionized (phenol)(h2o)n
TL;DR: In this article, the infrared spectra of (phenol)(H2O)n+ cluster ions (n = 1−4, 7, 8) have been recorded in the region from 2850 to 3800 cm-1.