Temperature Dependence of the Dissociative Electron Attachment to 2-Thiothymine

Abstract

We report the temperature dependence for the dissociation of 2-thiothymine induced by low energy electrons. Although hot molecules favor dissociative electron attachment (DEA) initiated by shape/core-excited resonances, here we demonstrate that, in contrast, the dipole bound mediated DEA is inhibited, by decreasing the accessibility for the excess electron to the dipole bound anion formation channel. In addition, from this research the estimation of the change in the cross sections for the fragments production via the shape/core-excited resonances can be extended to temperatures at biological relevance.

Interaction of gas phase copper(ii) acetylacetonate with slow electrons

“…44 The existence of the quadrupolebound state for the investigated molecular system can be evaluated using Clary's rotationally adiabatic theory 34 which has been shown to be relevant for describing the multipolebound anion. 35,44 Furthermore, for a symmetry-top molecule, a reasonable approximation for the [Cu(acac) 2 ] molecule (Table 1), the multi-bound anion states can be expressed by 34,35,45 A and B represent the rotor constants of the molecules (i.e., B x and B y -B z , respectively in Table 1). Using our calculated parameters in Table 1, we have found the quadrupole-bound ground state (J = 0, k = 0) to be located at E o = 155 meV.…”

Radiation Induced One-Electron Oxidation of 2-Thiouracil in Aqueous Solutions

“…Therefore, it was highly desirable to understand how the sulfur-substituted nucleobases can be altered by the secondary electrons. A series of papers was published in recent five years addressing the dissociative electron attachment to 2-thiouracil (2-TU) and 2-thiothymine in gas-phase and showing that the fragmentation of these molecules arises mainly at the sulfur site [35,36,37,38,39,40]. Some attention was also paid to electron paramagnetic resonance (EPR) studies [41,42,43,44,45,46,47,48,49] combined with DFT calculations [50,51,52] of radicals derived from γ-irradiated single crystals of sulfur-substituted nucleobases.…”