Dissociative electron attachments to ethanol and acetaldehyde: A combined experimental and simulation study

Abstract

Dissociation dynamics of the temporary negative ions of ethanol and acetaldehyde formed by the low-energy electron attachments is investigated by using the anion velocity map imaging technique and ab initio molecular dynamics simulations. The momentum images of the dominant fragments O(-)/OH(-) and CH3 (-) are recorded, indicating the low kinetic energies of O(-)/OH(-) for ethanol while the low and high kinetic energy distributions of O(-) ions for acetaldehyde. The CH3 (-) image for acetaldehyde also shows the low kinetic energy. With help of the dynamics simulations, the fragmentation processes are qualitatively clarified. A new cascade dissociation pathway to produce the slow O(-) ion via the dehydrogenated intermediate, CH3CHO(-) (acetaldehyde anion), is proposed for the dissociative electron attachment to ethanol. After the electron attachment to acetaldehyde molecule, the slow CH3 (-) is produced quickly in the two-body dissociation with the internal energy redistributions in different aspects before bond cleavages.

Dissociative Electron Attachment to Molecular Acetonitrile

“…For example, the O − and OH − anions produced in the DEA to ethanol were not isolated completely in the mass spectra, but they were identified successfully according to their different AE values. 24 In Figure 2, a broad band in our experimental curve shows a stronger peak at the front edge and a shoulder around 3.52 eV. According to the molecular fundamental data available in the recent literature, the electron affinity (EA) of CH 2 CN is 1.53 ± 0.01 eV and 25 the bond dissociation energy D(H − CH 2 CN) equals 4.03 ± 0.09 eV.…”

Multi-layer graphene as a selective detector for future lung cancer biosensing platforms

“…For instance, a molecule of acetone (1) demonstrates several adsorbate structures with nearly the same stability and parallel arrangement of CvO bonds to the substrate. 37 Molecules of isopropanol (2) and ethanol (3), due to the low kinetic energies 38 of the O-H bonds, provide only a single orientation each.…”

Voltage–current characteristics of low-pressure discharges in vapors of several alcohols

“…These data can be obtained from studies of non-equilibrium discharges, either directly motivated by a very specific application or in quite generic experiments with a simple electrode geometry. Therefore, our measurements of Volt-Ampere characteristics in addition to the Paschen curves and emission profiles in non-equilibrium parallel-plate dc discharges in different alcohol vapours [18] aim at providing a comprehensive reference set of data that can be used in interpreting and modeling more complex discharges [16,[19][20][21][22][23][24]. Our investigation follows similar steps as our previous studies of discharges in water vapour and in argon [25,26].…”