Solvation Effects on Dissociative Electron Attachment to Thymine.

Ionizing radiation can excite the cellular medium to produce secondary electrons that can subsequently cause damage to DNA. The damage is believed to occur via dissociative electron attachment (DEA). In DEA, the electron is captured by a molecule in a resonant antibonding state and a transient negative ion is formed.

Dissociative electron attachment and electronic excitation in Fe(CO).

In a combined experimental and theoretical study we characterize dissociative electron attachment (DEA) to, and electronically excited states of, Fe(CO). Both are relevant for electron-induced degradation of Fe(CO). The strongest DEA channel is cleavage of one metal-ligand bond that leads to production of Fe(CO).

Quantum suppression of antihydrogen formation in positronium-antiproton scattering.

The interaction of antiprotons with low-energy positronium atoms is a fundamental three-body problem whose significance is its utility for formation of antihydrogen. Particular importance resides in understanding processes involving excited positronium states. Until recently such studies were performed using classical techniques.

Similarity between positronium-atom and electron-atom scattering.

We employ the impulse approximation for a description of positronium-atom scattering. Our analysis and calculations of Ps-Kr and Ps-Ar collisions provide a theoretical explanation of the similarity between the cross sections for positronium scattering and electron scattering for a range of atomic and molecular targets observed by S. J.

Electron-induced hydrogen loss in uracil in a water cluster environment.

Low-energy electron-impact hydrogen loss due to dissociative electron attachment (DEA) to the uracil and thymine molecules in a water cluster environment is investigated theoretically. Only the A(')-resonance contribution, describing the near-threshold behavior of DEA, is incorporated. Calculations are based on the nonlocal complex potential theory and the multiple scattering theory, and are performed for a model target with basic properties of uracil and thymine, surrounded by five water molecules.

Electron attachment to molecules in a cluster environment.

Low-energy dissociative electron attachment (DEA) to the CF(2)Cl(2) and CF(3)Cl molecules in a water cluster environment is investigated theoretically. Calculations are performed for the water trimer and water hexamer. It is shown that the DEA cross section is strongly enhanced when the attaching molecule is embedded in a water cluster, and that this cross section grows as the number of water molecules in the cluster increases.

Dissociative electron attachment to CH2Cl2, CHCH3Cl2, and C(CH3)2Cl2.

We perform theoretical studies of dissociative electron attachment (DEA) for the compounds CH(2-n)(CH(3))(n)Cl(2), n = 0, 1, 2, by combining the finite-element discrete model with the resonance R-matrix theory. An unexpectedly low DEA cross section for CH(2)Cl(2) is likely due to the relatively large resonance width for this compound that confirms experimental observations. However, there are some quantitative discrepancies with the experimental results.

On the relation between the activation energy for electron attachment reactions and the size of their thermal rate coefficients.

Rate coefficients k(T) for dissociative electron attachment (DEA) to molecules in many cases exhibit a more or less strong rise with increasing temperature T (the electron temperature T(e) and the molecular temperature T(G) are assumed to be in thermal equilibrium, i.e., T = T(e) = T(G)).

Low-energy electron attachment to the dichlorodifluoromethane (CCl2F2) molecule.

Results from a joint experimental study of electron attachment to dichlorodifluoromethane (CCl(2)F(2)) molecules in the gas phase are reported. In a high resolution electron beam experiment involving two versions of the laser photoelectron attachment method, the relative cross section for formation of the dominant anion Cl(-) was measured over the energy range 0.001-1.

On the validity of the Arrhenius equation for electron attachment rate coefficients.

The validity of the Arrhenius equation for dissociative electron attachment rate coefficients is investigated. A general analysis allows us to obtain estimates of the upper temperature bound for the range of validity of the Arrhenius equation in the endothermic case and both lower and upper bounds in the exothermic case with a reaction barrier. The results of the general discussion are illustrated by numerical examples whereby the rate coefficient, as a function of temperature for dissociative electron attachment, is calculated using the resonance R-matrix theory.

Observation of p-wave threshold behavior in electron attachment to F2 molecules.

Using the high resolution laser photoelectron attachment method, we demonstrate that the cross section for F- formation due to electron capture by F2(X{1}Sigma{g}{+}) molecules at very low energies exhibits p-wave threshold behavior. This finding confirms the theoretical expectation that low-energy attachment to F2 proceeds through the F2{-}(2Sigma{u}{+}) p-wave shape resonance in contrast with previous experimental claims for s-wave threshold behavior.

The dependence of low-energy electron attachment to CF3Br on electron and vibrational energy.

In a joint experimental and theoretical effort, we have studied dissociative electron attachment (DEA) to the CF3Br molecule at electron energies below 2 eV. Using two variants of the laser photoelectron attachment method with a thermal gas target (T(G) = 300 K), we measured the energy dependent yield for Br- formation over the range E = 3-1200 meV with resolutions of about 3 meV (E < 200 meV) and 35 meV. At the onsets for excitation of one and two quanta for the C-Br stretching mode nu3, downward cusps are detected.

Theory of electron attachment to CO2 clusters.

A theory of electron collisions with van der Waals clusters is developed which is capable of describing the vibrational Feshbach resonances (VFRs) recently observed in electron attachment to CO2 clusters. The calculations also predict vibrational excitation (VE) of one molecular unit in a cluster environment and demonstrate a strong influence of the VFRs on the VE cross sections.

Boundary conditions for the Pauli equation: application to photodetachment of Cs-.

We formulate the boundary conditions near the atomic nucleus for solving the Pauli equation, based on the analytic solution of the Dirac equation for a Coulomb potential. We then integrate the Pauli equation using an effective potential that is adjusted to reproduce Dirac R-matrix scattering phase shifts, and find the (3)P(o)(1) resonance contribution to the photodetachment cross section of Cs-. Our photodetachment cross sections agree with recent experiments by Scheer et al.