Bibliographies thématiques / Gas phase vibrational spectroscopy, IRPD, cluster

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Littérature scientifique sur le sujet « Gas phase vibrational spectroscopy, IRPD, cluster »

Auteur : Grafiati

Publié le 4 juin 2021

Mis à jour le 14 février 2022

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Articles de revues sur le sujet "Gas phase vibrational spectroscopy, IRPD, cluster"

Mafuné, Fumitaka, Manami Abe et Satoshi Kudoh. « Adsorption Forms of Water Molecules on Gas-Phase Platinum Clusters Pt3+ Studied by Vibrational Photodissociation Spectroscopy ». Zeitschrift für Physikalische Chemie 233, n^o 6 (26 juin 2019) : 881–94. http://dx.doi.org/10.1515/zpch-2018-1364.

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Abstract The vibrational spectra of Pt3(H2O)m+ (m = 1–4) cluster were measured in the 3000–3800 cm−1 range via infrared photodissociation (IRPD) spectroscopy. The IRPD spectra were recorded through the photodissociation of Pt3(H2O)m+-Ar (m = 1–3) complexes and Pt3(H2O)4+ cations upon vibrational excitation. The spectra were compared to the vibrational spectra of several stable isomers obtained by density functional theory (DFT) calculations and the adsorption forms of the water molecules were subsequently discussed. The IRPD spectra of all the studied Pt3(H2O)m+ cations exhibited intense peaks at ∼3600 and 3700 cm−1. This suggested that the water molecules mainly adsorb onto the Pt clusters in molecular form and that each molecule binds directly to a Pt atom via its O atom side. For the water-rich Pt3(H2O)4+ cations, all four water molecules were directly bound to the Pt atoms; however, according to the DFT calculations, the fourth H2O molecule could bind to a first-layer water molecule through hydrogen bonding.

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Marimuthu, Aravindh N., David Sundelin, Sven Thorwirth, Britta Redlich, Wolf D. Geppert et Sandra Brünken. « Laboratory gas-phase vibrational spectra of [C3H3]+ isomers and isotopologues by IRPD spectroscopy ». Journal of Molecular Spectroscopy 374 (novembre 2020) : 111377. http://dx.doi.org/10.1016/j.jms.2020.111377.

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Meng, Luyan, Siying Liu, Qifeng Qin, Bin Zeng, Zhen Luo et Chaoxian Chi. « Infrared photodissociation spectroscopy of heteronuclear group 15 metal–iron carbonyl cluster anions AmFe(CO)n− (A = Sb, Bi ; m, n = 2, 3) ». Physical Chemistry Chemical Physics 23, n^o 22 (2021) : 12668–78. http://dx.doi.org/10.1039/d1cp00583a.

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Heteronuclear group 15 metal–iron carbonyl cluster complexes of A_mFe(CO)_n⁻ (A = Sb, Bi; m, n = 2–3) were generated in the gas phase and studied by IRPD spectroscopy and DFT calculations.

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Weinheimer, Corey J., et James M. Lisy. « Gas-Phase Cluster Ion Vibrational Spectroscopy of Na+(CH3OH)2-7 ». Journal of Physical Chemistry 100, n^o 38 (janvier 1996) : 15305–8. http://dx.doi.org/10.1021/jp9621787.

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Fielicke, André, Gert von Helden, Gerard Meijer, Benoit Simard, Stéphane Dénommée et David M. Rayner. « Vibrational Spectroscopy of CO in Gas-Phase Rhodium Cluster−CO Complexes ». Journal of the American Chemical Society 125, n^o 37 (septembre 2003) : 11184–85. http://dx.doi.org/10.1021/ja036897s.

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I McKay, Ruth, Evan J Bieske, Ian M Atkinson, Frederick R Bennett, Andrew J Bradley, Mark W Rainbird, Andrew B Rock, Angelo S Uichanco et Alan EW Knight. « Spectroscopy and Structure of Aromatic?Rare Gas Cluster Ions ». Australian Journal of Physics 43, n^o 5 (1990) : 683. http://dx.doi.org/10.1071/ph900683.

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Ionic clusters consisting of a polyatomic ion surrounded by a few 'solvent' atoms or molecules, provide a connecting link between the isolated gas phase ion and the ion solvated in a condensed medium. Analysis of the vibrational structure associated with the motion of the cluster atoms can reveal details concerning the intermolecular potential. However, for large polyatomic ions, information concerning the cluster vibrational motion has been difficult to obtain using conventional spectroscopic methods. We have developed a new combination of the previously available techniques of supersonic cooling, resonance-enhanced multi photon ionisation, timeof- flight mass spectroscopy, in concert with one-photon photodissociation spectroscopy. This new technique takes advantage of the facile predissociation of an electronically excited cluster and affords us a method of studying the previously unmeasurable vibrational structure associated with the motion of a molecular cluster ion. Using this technique we have obtained vibrationally resolved photodissociation spectra of a number of aromatic-rare gas cluster ions. Analysis of their vibrational structure permits structural details of the cluster cation to be deduced.

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Zeng, Helen J., et Mark A. Johnson. « Demystifying the Diffuse Vibrational Spectrum of Aqueous Protons Through Cold Cluster Spectroscopy ». Annual Review of Physical Chemistry 72, n^o 1 (20 avril 2021) : 667–91. http://dx.doi.org/10.1146/annurev-physchem-061020-053456.

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The ease with which the pH is routinely determined for aqueous solutions masks the fact that the cationic product of Arrhenius acid dissolution, the hydrated proton, or H+(aq), is a remarkably complex species. Here, we review how results obtained over the past 30 years in the study of H+⋅(H2O) n cluster ions isolated in the gas phase shed light on the chemical nature of H+(aq). This effort has also revealed molecular-level aspects of the Grotthuss relay mechanism for positive-charge translocation in water. Recently developed methods involving cryogenic cooling in radiofrequency ion traps and the application of two-color, infrared–infrared (IR–IR) double-resonance spectroscopy have established a clear picture of how local hydrogen-bond topology drives the diverse spectral signatures of the excess proton. This information now enables a new generation of cluster studies designed to unravel the microscopic mechanics underlying the ultrafast relaxation dynamics displayed by H+(aq).

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Aldiyarov, A. U., D. Y. Sokolov, A. Z. Tychengulova et D. Yerezhep. « Vibrational spectroscopy of thin film condensates of ethanol mixture with inert gase ». Recent Contributions to Physics 78, n^o 3 (septembre 2021) : 24–33. http://dx.doi.org/10.26577/rcph.2021.v78.i3.03.

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It is known that by changing the concentration in an inert medium, it is possible to form clusters of various sizes of any substance by condensing them on a cold substrate from the gas phase. Traditionally, such systems are presented by molecular cryocrystals. This paper demonstrates the results of IR spectrometric studies of cryovacuum condensates of ethanol mixture with nitrogen. The main task of this study is to explain the complex, most often, ambiguous behavior of thin films of ethanol cryovacuum condensates in the process of its cocondensation with nitrogen. For this purpose, vibrational spectroscopy of cryodeposited thin films of “ethanol in nitrogen” mixtures in various concentration ratios was performed. The objects of research are thin films of cryocondensates of ethanol mixture with inert gas (N2). The samples were condensed at the temperature T = 16 K. The pressure of the gas phase of the mixture during cryocondensation was kept at P = 105 Torr. The range of ethanol concentrations in the mixtures varied from 3% to 90%. The spectral range of measurements was considered in 400-4200 1/cm. It is assumed that the change in the concentration of ethanol in the mixture leads to the formation of various cluster compositions of ethanol molecules dissolved in an inert medium.

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Nicely, Amy L., Dorothy J. Miller et James M. Lisy. « Gas-phase vibrational spectroscopy and ab initio calculations of Rb+(H2O)n and Rb+(H2O)nAr cluster ions ». Journal of Molecular Spectroscopy 257, n^o 2 (octobre 2009) : 157–63. http://dx.doi.org/10.1016/j.jms.2009.08.001.

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HERNÁNDEZ-RIVERA, SAMUEL P., LEONARDO C. PACHECO-LONDOÑO, OLIVA M. PRIMERA-PEDROZO, ORLANDO RUIZ, YADIRA SOTO-FELICIANO et WILLIAM ORTIZ. « VIBRATIONAL SPECTROSCOPY OF CHEMICAL AGENTS SIMULANTS, DEGRADATION PRODUCTS OF CHEMICAL AGENTS AND TOXIC INDUSTRIAL COMPOUNDS ». International Journal of High Speed Electronics and Systems 17, n^o 04 (décembre 2007) : 827–43. http://dx.doi.org/10.1142/s0129156407005016.

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This paper focuses on the measurement of spectroscopic signatures of Chemical Warfare Agent Simulants (CWAS), degradation products of chemical agents and Toxic Industrial Compounds (TIC) using vibrational spectroscopy. Raman Microscopy, Fourier Transform Infrared Spectroscopy in liquid and gas phase and Fiber Optics Coupled-Grazing Angle Probe-FTIR were used to characterize the spectroscopic information of target threat agents. Ab initio chemical calculations of energy minimization and FTIR spectra of Chemical Warfare Agents were accompanied by Cluster Analysis to correlate spectral information of real agents and simulants.

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Thèses sur le sujet "Gas phase vibrational spectroscopy, IRPD, cluster"

Weichmann, Marissa L., Xiaowei Song, Matias R. Fagiani, Sreekanta Debnath, Sandy Gewinner, Wieland Schöllkopf, Daniel M. Neumark et Knut Roger Asmis. « Gas phase vibrational spectroscopy of cold (TiO2)−n (n = 3–8) clusters ». AIP Publishing, 2016. https://ul.qucosa.de/id/qucosa%3A21255.

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We report infrared photodissociation (IRPD) spectra for the D2-tagged titanium oxide cluster anions (TiO2)−n with n = 3–8 in the spectral region from 450 to 1200 cm−1. The IRPD spectra are interpreted with the aid of harmonic spectra from BP86/6-311+G* density functional theory calculations of energetically low-lying isomers. We conclusively assign the IRPD spectra of the n = 3 and n = 6 clusters to global minimum energy structures with Cs and C2 symmetry, respectively. The vibrational spectra of the n = 4 and n = 7 clusters can be attributed to contributions of at most two low-lying structures. While our calculations indicate that the n = 5 and n = 8 clusters have many more low-lying isomers than the other clusters, the dominant contributions to their spectra can be assigned to the lowest energy structures. Through comparison between the calculated and experimental spectra, we can draw conclusions about the size-dependent evolution of the properties of (TiO2)−n clusters, and on their potential utility as model systems for catalysis on a bulk TiO2 surface.

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