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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Theoretical Study on the Size Dependence of Ground-State Proton Transfer in 1-Naphthol-Ammonia Clusters.
TL;DR: It is concluded that the threshold size of GSPT is n = 8 under the conventional experimental condition, and it is found that the minimal distance between the π-ring and the solvent moiety is a good indicator of the PT reaction.
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Opening of the Diamondoid Cage upon Ionization Probed by Infrared Spectra of the Amantadine Cation Solvated by Ar, N2, and H2O
TL;DR: In this article , the structure, energy, and intermolecular interaction of clusters of the amantadine radical cation (Ama+, 1‐aminoadamantane) with solvent molecules of different interaction strength by infrared photodissociation (IRPD) spectroscopy of mass-selected Ama+L n clusters, with L=Ar (n≤3) and L=N2 and H2O (n=1), and dispersion-corrected density functional theory calculations (B3LYP−D3/cc‐pVTZ).
Journal ArticleDOI
The branching ratio in the infrared predissociation of aniline–water–methanol+ ion
TL;DR: In this paper, the infrared photodissociation of aniline-water-methanol cluster ion was investigated in the 2600-3900 cm−1 region to examine the factors which play key roles in determining the branching ratio of a concurrent predissociation reaction.
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4 Photodissociation in the gas phase
TL;DR: A review of photodissociation dynamics investigations published in 2003 have been reviewed in this paper, including the measurement of dissociation rate of benzene, the manifestation of ring isomerization prior to photodisociation, the discovery of conformation-specific dissociation dynamics, and the studies on halogen-containing compounds in relation to the ozone-deficit problem.
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Vibrational predissociation of aniline(water)n+ (n = 1–12)
TL;DR: In this article, a linear tandem time of flight mass spectrometer was tested by the dissociation of aniline + at 266nm and observed decay constant matched well with the previous result.
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.
Journal ArticleDOI
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.