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Int. J. Mol. Sci., Volume 3, Issue 3 (March 2002) – 11 articles , Pages 114-233

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251 KiB  
Article
Charge Exchange in Low-Energy H, D + C4+ Collisions with Full Account of Electron Translation
by A. K. Belyaev, J. Grosser, J. Liévin and N. Vaeck
Int. J. Mol. Sci. 2002, 3(3), 190-208; https://doi.org/10.3390/i3030190 - 30 Mar 2002
Cited by 73 | Viewed by 7808
Abstract
We report the application of the quantum approach, which takes full account of electron translation at low collisional energies, to the charge exchange process H, D + C4+ → H+, D+ + C3+(3s; 3p; [...] Read more.
We report the application of the quantum approach, which takes full account of electron translation at low collisional energies, to the charge exchange process H, D + C4+ → H+, D+ + C3+(3s; 3p; 3d). The partial and the total integral cross sections of the process are calculated in the energy range from 1 till 60 eV/amu. It is shown that the present results are independent from the upper integration limit for numerical solution of the coupled channel equations although nonadiabatic couplings remain nonzero up to infinity. The calculated partial and total cross sections are in agreement with the previous low-energy calculations and the available experimental data. It is shown that for low collisional energies the isotopic effect takes place. The observed effect is explained in terms of the nonadiabatic dynamics. Full article
(This article belongs to the Special Issue Charge Transfer in Ionic and Molecular Systems)
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12 KiB  
New Book Received
Highlights in Solute-Solvent Interactions
by W. Linert
Int. J. Mol. Sci. 2002, 3(3), 230-231; https://doi.org/10.3390/i3030230 - 28 Mar 2002
Cited by 73 | Viewed by 5190
Abstract
This book [2] emphasizes a broad spectrum of features in solution chemistry, reaching from recent developments in the empirical characterization of solvent-solute interactions up to modern theoretical descriptions of liquid-state systems, from solid-liquid interfaces to preferential solvation in mixed solvents.[...] Full article
(This article belongs to the Special Issue Charge Transfer in Ionic and Molecular Systems)
101 KiB  
Article
Low-Energy Charge Transfer in Multiply-Charged Ion-Atom Collisions Studied with the Combined SCVB-MOCC Approach
by
Int. J. Mol. Sci. 2002, 3(3), 220-229; https://doi.org/10.3390/i3030220 - 28 Mar 2002
Cited by 73 | Viewed by 8395
Abstract
A survey of theoretical studies of charge transfer involving collisions of multiply-charged ions with atomic neutrals (H and He) is presented. The calculations utilized the quantum-mechanical molecular-orbital close-coupling (MOCC) approach where the requisite potential curves and coupling matrix elements have been obtained with [...] Read more.
A survey of theoretical studies of charge transfer involving collisions of multiply-charged ions with atomic neutrals (H and He) is presented. The calculations utilized the quantum-mechanical molecular-orbital close-coupling (MOCC) approach where the requisite potential curves and coupling matrix elements have been obtained with the spin-coupled valence bond (SCVB) method. Comparison is made among various collision partners, for equicharged systems, where it is illustrated that even for total charge transfer cross sections, scaling-laws do not exist for low-energy collisions (i.e. < 1 keV/amu). While various empirical scaling-laws are well known in the intermediateand high-energy regimes, the multi-electron configurations of the projectile ions results in a rich and varied low-energy dependence, requiring an explicit calculation for each collision-partner pair. Future charge transfer problems to be addressed with the combined SCVB-MOCC approach are briefly discussed. Full article
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209 KiB  
Article
Single Electron Capture in Slow Collisions of Doubly Charged Ions with Dinuclear Molecules
by Mihaela Albu, Libor Mrazek, Friedrich Aumayr and Hannspeter Winter
Int. J. Mol. Sci. 2002, 3(3), 209-219; https://doi.org/10.3390/i3030209 - 28 Mar 2002
Cited by 73 | Viewed by 6692
Abstract
We have performed translational-spectroscopical measurements on single electron capture (SEC) by impact of slow (impact energy ≤ 1 keV) doubly charged ions on dinuclear molecules. For impact of C2+ and N2+ ions the influence of their metastable fractions on the SEC [...] Read more.
We have performed translational-spectroscopical measurements on single electron capture (SEC) by impact of slow (impact energy ≤ 1 keV) doubly charged ions on dinuclear molecules. For impact of C2+ and N2+ ions the influence of their metastable fractions on the SEC probability has been studied. For impact of 4He2+ on O2 and CO direct and dissociative SEC have been investigated. For all collision systems studied the principal SEC channels can be explained by the "reaction window" which results from multichannel-Landau-Zener treatments for the collisional quasimolecules. Full article
(This article belongs to the Special Issue Charge Transfer in Ionic and Molecular Systems)
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208 KiB  
Article
Rate Coefficient Determination in Charge Transfer Reactions
by Marie-Christine Bacchus-Montabonel, Ezinvi Baloïtcha, Michèle Desouter-Lecomte and Nathalie Vaeck
Int. J. Mol. Sci. 2002, 3(3), 176-189; https://doi.org/10.3390/i3030176 - 28 Mar 2002
Cited by 73 | Viewed by 7691
Abstract
The development of experimental ion-trap techniques provides the opportunity to compare directly theoretical rate coefficients to experimental data in the low-temperature regime. In the present work, we consider the ion-atom collisional systems, N2+, O2+, Si3+ and Si4+ [...] Read more.
The development of experimental ion-trap techniques provides the opportunity to compare directly theoretical rate coefficients to experimental data in the low-temperature regime. In the present work, we consider the ion-atom collisional systems, N2+, O2+, Si3+ and Si4+ on a He target, in order to examine the present status of the agreement between theory and experiment. Full article
(This article belongs to the Special Issue Charge Transfer in Ionic and Molecular Systems)
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299 KiB  
Article
Studies of Electron Capture by Multiply Charged Ions from Molecules using Translational Energy Spectroscopy
by D. M. Kearns, R. W. McCullough and H. B. Gilbody
Int. J. Mol. Sci. 2002, 3(3), 162-175; https://doi.org/10.3390/i3030162 - 28 Mar 2002
Cited by 73 | Viewed by 7689
Abstract
The development of experimental ion-trap techniques provides the opportunity to compare directly theoretical rate coefficients to experimental data in the low-temperature regime. In the present work, we consider the ion-atom collisional systems, N2+, O2+, Si3+ and Si4+ [...] Read more.
The development of experimental ion-trap techniques provides the opportunity to compare directly theoretical rate coefficients to experimental data in the low-temperature regime. In the present work, we consider the ion-atom collisional systems, N2+, O2+, Si3+ and Si4+ on a He target, in order to examine the present status of the agreement between theory and experiment. Full article
(This article belongs to the Special Issue Charge Transfer in Ionic and Molecular Systems)
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263 KiB  
Article
Anisotropy effects in H++H2 collisions
by L. F. Errea, A. Macías, L. Méndez, I. Rabadán and A. Riera
Int. J. Mol. Sci. 2002, 3(3), 142-161; https://doi.org/10.3390/i3030142 - 28 Mar 2002
Cited by 73 | Viewed by 10014
Abstract
The effect of the anisotropy of the interaction potential on ion-diatom non-adiabatic collisions is analized by considering the influence of the anisotropy on orientation averaged total cross sections for charge transfer in H++H2(X1Σ+g ) collisions. [...] Read more.
The effect of the anisotropy of the interaction potential on ion-diatom non-adiabatic collisions is analized by considering the influence of the anisotropy on orientation averaged total cross sections for charge transfer in H++H2(X1Σ+g ) collisions. We discuss the possibility of employing simpli ed methods such as an isotropic approximation, where only the electronic energies and interactions of a single orientation are necessary. The use of several isotropic calculations to evaluate the orientation averaged cross section is analized. Full article
(This article belongs to the Special Issue Charge Transfer in Ionic and Molecular Systems)
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199 KiB  
Article
Alignment-Dependent Atomic Model for Electron Transfer in Ion-Molecule Collisions
by C. D. Lin and Ingrid Reiser
Int. J. Mol. Sci. 2002, 3(3), 132-141; https://doi.org/10.3390/i3030132 - 28 Mar 2002
Cited by 73 | Viewed by 6659
Abstract
The alignment-dependent atomic model for treating electron transfer processes in ion-molecule collisions [Shingal and Lin, Phys. Rev. 1989, A40, 1302] is reviewed. This model has been applied to collisions between H+ and He2+ with H2, and recently also to [...] Read more.
The alignment-dependent atomic model for treating electron transfer processes in ion-molecule collisions [Shingal and Lin, Phys. Rev. 1989, A40, 1302] is reviewed. This model has been applied to collisions between H+ and He2+ with H2, and recently also to collisions between He2+ and Ar2+ ions with H2+, where alignment effect is being explored experimentally. Full article
(This article belongs to the Special Issue Charge Transfer in Ionic and Molecular Systems)
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209 KiB  
Article
Electron Capture in Collisions of Slow Highly Charged Ions with an Atom and a Molecule: Processes and Fragmentation Dynamics
by François Frémont, Guillaume Laurent, Jimmy Rangama, Przemyslaw Sobocinski, Medhi Tarisien, Lamri Adoui, Amine Cassimi, Jean-Yves Chesnel, Xavier Fléchard, Dominique Hennecart and Xavier Husson
Int. J. Mol. Sci. 2002, 3(3), 115-131; https://doi.org/10.3390/i3030115 - 28 Mar 2002
Cited by 73 | Viewed by 8600
Abstract
Processes involved in slow collisions between highly charged ions (HCI) and neutral targets are presented. First, the mechanisms responsible for double electron capture are discussed. We show that, while the electron-nucleus interaction is expected to be dominant at projectile velocities of about 0.5 [...] Read more.
Processes involved in slow collisions between highly charged ions (HCI) and neutral targets are presented. First, the mechanisms responsible for double electron capture are discussed. We show that, while the electron-nucleus interaction is expected to be dominant at projectile velocities of about 0.5 a.u., the electron-electron interaction plays a decisive role during the collision and gains importance when the projectile velocity decreases. This interaction has also to be invoked in the capture of core electrons by HCI. Finally, the molecular fragmentation of H2 following the impact of HCI is studied. Full article
(This article belongs to the Special Issue Charge Transfer in Ionic and Molecular Systems)
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11 KiB  
Editorial
Charge Transfer in Ionic and Molecular Systems
by Marie-Christine Bacchus-Montabonel
Int. J. Mol. Sci. 2002, 3(3), 114; https://doi.org/10.3390/i3030114 - 28 Mar 2002
Cited by 73 | Viewed by 5550
Abstract
Charge transfer reactions are fundamental processes present in almost all areas of physics, chemistry and biochemistry.[...] Full article
(This article belongs to the Special Issue Charge Transfer in Ionic and Molecular Systems)
12 KiB  
New Book Received
The Law of Mass Action
by Shu-Kun Lin
Int. J. Mol. Sci. 2002, 3(3), 232-233; https://doi.org/10.3390/i3030232 - 27 Mar 2002
Cited by 73 | Viewed by 4538
Abstract
During the weekend I quickly browsed through this book [2] with great interest and recommend all chemists, whether experimental chemists or theoretical chemists, to read it.[...] Full article
(This article belongs to the Special Issue Charge Transfer in Ionic and Molecular Systems)
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