Dissociative recombination (DR) of molecular ions with electrons is a complex, poorly understood molecular process. Its critical role as a neutralising agent in the Earth's upper atmosphere is now well established and its occurrence in many natural and laboratory-produced plasma has been a strong motivation for studying the event. In this book theoretical concepts, experimental methodology and applications are united, revealing the governing principles behind the gas-phase reaction. The book takes the reader through the intellectual challenges posed, describing in detail dissociation mechanisms, dynamics, diatomic and polyatomic ions and related processes, including dissociative excitation, ion pair formation and photodissociation. With the final chapter dedicated to applications in astrophysics, atmospheric science, plasma physics and fusion research, this is a focused, definitive guide to a fundamental molecular process. The book will appeal to academics within physics, physical chemistry and related sciences.
We present the results of an ab initio study of elastic scattering and vibrational excitation of NO by electron impact in the low-energy (0-2 eV) region where the cross sections are dominated by resonance contributions. The 3 Σ − , 1 ∆ and 1 Σ + NO − resonance lifetimes are taken from our earlier study [Phys. Rev. A 69, 062711 (2004)], but the resonance energies used here are obtained from new configuration-interaction studies. Here we employ a more elaborate nonlocal treatment of the nuclear dynamics, which is found to remedy the principal deficiences of the local complex potential model we employed in our earlier study, and gives cross sections in better agreement with the most recent experiments. We also present cross sections for dissociative electron attachment to NO leading to ground state products, O − ( 2 P) + N( 4 S). The calculations show that, while the peak cross sections starting from NO in its ground vibrational state are very small (∼ 10 −20 cm 2 ), the cross sections are extremely sensitive to vibrational excitation of the target and should be readily observable for target NO molecules excited to ν = 10 and above.
We present the results of ab initio calculations for elastic electron scattering by tetrahydrofuran (THF) using the complex Kohn variational method. We carried out fixed-nuclei calculations at the equilibrium geometry of the target molecule for incident electron energies up to 20 eV. The calculated momentum transfer cross sections clearly reveal the presence of broad shape resonance behaviour in the 8–10 eV energy range, in agreement with recent experiments. The calculated differential cross sections at 20 eV, which include the effects of the long-range electron–dipole interaction, are also found to be in agreement with the most recent experimental findings.
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