Resonant dissociative attachment of electrons to molecules of five-membered heterocyclic compounds and lactams

Муфтахов, М. В.; Asfandiarov, N. L.; Khvostenko, V. I.

doi:10.1016/0368-2048(94)02047-4

Cited by 29 publications

(37 citation statements)

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“…Near 1.8 eV Palmer et al [7] have observed a structure in the trapped electron spectrum and attributed it to the vibrational excitation of the ground electronic state of the furan molecule via a shape resonant state. The 3.1-eV shape π * resonance also gives a weak contribution to furanyl anion yield noticed between 3 and 4.5 eV by Muftakhov et al [12] and by Sulzer et al [13]. The formation of two shape resonances in this energy range has been recently confirmed in vibrationally elastic calculations by Bettega and Lima [14] and in electronically inelastic computations by da Costa et al [15].…”

Section: Resultsmentioning

confidence: 73%

“…In the excitation function of the C-H stretching vibrational modes, Motte-Tollet et al [11] have observed a broad structureless peak centered around 6 eV and associated it with temporary trapping of the incoming electron in an unoccupied molecular orbital of σ * (C-H) character. Several fragment anions have been clearly evidenced in the effective yield curves [12,13] close to 6 eV. However, they have been assumed to originate from core-excited resonances, contrary to a shape-resonance origin of the 6-eV structure suggested on the base of the vibrational excitation function [11].…”

Section: Resultsmentioning

confidence: 98%

“…Early works were concerned with the electronimpact excitation of low electronic levels [5][6][7][8] or the inner shells [9] of the furan molecule. Some attention has been devoted also to the formation of the negative-ion temporary states (resonances) in the electron-furan scattering: in particular, two shape resonant states centered near 1.7 and 3.1 eV have been noticed in the low-energy electron-transmission experiments [5,10]; a broad resonance around 6 eV has been found [11] in the excitation function of the C-H stretch vibrations; and various fragment anions observed between 3 and 13 eV in the dissociative electron attachment experiments [12,13] have also a resonant origin. Theoretical works [14,15] reveal the resonant features in the elastic and electronically inelastic electron scattering from furan at low impact energy.…”

Section: Introductionmentioning

confidence: 96%

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Cross sections for electron scattering from furan molecules: Measurements and calculations

et al. 2010

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Electron-scattering cross sections have been determined for the furan (C 4 H 4 O) molecule, both experimentally and theoretically. An absolute total cross section (TCS) has been measured over energies from 0.6 to 400 eV using a linear electron-transmission method. The TCS energy function is dominated with a very broad enhancement, between 1.2 and 9 eV; on the low-energy side, some resonant structures are visible. Integral elastic (ECS) and ionization (ICS) cross sections have been also calculated up to 4 keV in the additivity rule approximation and the binary-encounter-Bethe approach, respectively. Their sum, ECS + ICS, is in a very good agreement with the measured TCS above 70 eV.

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Section: Resultsmentioning

confidence: 73%

Section: Resultsmentioning

confidence: 98%

Section: Introductionmentioning

confidence: 96%

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Cross sections for electron scattering from furan molecules: Measurements and calculations

et al. 2010

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“…The first reflects the H-atom elimination from the NH 2 group, whereas the second corresponds to H-loss from the CH 3 group. This suggestion is based on our previous investigations of lactams 8 that have similarities to the present study. However, relative intensities of [MÀH] À peaks corresponding to different ion structures in lactams differed approximately by an order of magnitude, and elimination of the amide H-atom was more effective.…”

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confidence: 64%

Determination of electron affinity of carbonyl radicals by means of negative ion mass spectrometry

Муфтахов

Vasil’ev

Mazunov

1999

Rapid Commun. Mass Spectrom.

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“…Dissociative electron attachment to a series of five-membered heterocyclic compounds were investigated by Muftakhov and co-workers [20]. Using the mass spectroscopy technique these authors identified a number of structures which, for furan, appeared in the energy range from 3.5 eV to 10.7 eV and were assigned as core to ascribe it to a more specific mechanism of electron capture was provided by these authors.…”

Section: Introductionmentioning

confidence: 99%

Electronic excitation of gas-phase furan molecules by electron impact

et al. 2012

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Experiments and ab-initio calculations of the differential and integral cross sections for the electronic excitation from the ground state 1 A 1 to the 3 B 2 and 3 A 1 states of gas-phase furan molecules, by low-energy electron impact, were performed. Experimental differential cross sections were measured at incident electron energies between 5 to 15 eV and for scattering angles from 10 • to 130 • . The calculated cross sections were obtained using the Schwinger multichannel method implemented with pseudopotentials. The influence of channel-coupling and polarization effects is investigated through the comparison between three different models of scattering calculations, each one considering a distinct channel-coupling scheme. The comparison of experimental and calculated cross sections for electronically inelastic electron scattering by C 4 H 4 O molecules is found to be mostly reasonable. The existing discrepancies in this combined theoretical and experimental study help to illustrate difficulties in readily establishing reliable electronic excitation cross sections of polyatomic molecules by low-energy electrons.PACS numbers: 34.80. Gs, 34.80.Bm I INTRODUCTIONElectron-induced breakage of chemical bonds through dissociative electron attachment, a process mediated by the formation of temporary anionic states, has been recognized as a very efficient mechanism leading to the production of permanent lesions on DNA chains in the form of single-and double-strand breaks [1][2][3][4][5]. Much of the latest ongoing work on this subject has been devoted to the study of inelastic processes, more specifically, those involving electronic and/or vibrational excitations of the DNA basic constituents by impact of lowenergy electrons [6][7][8][9][10][11]. In particular, the electronic excitation cross sections obtained in these studies revealed the presence of several core-excited resonances that appear at energies ranging typically from 5 eV to 10 eV. These findings are relevant because the formation of such short-lived negative ion states represents an alternative, and probably rather effective if compared to "one-particle" shape resonances, doorway for electron-induced damage to DNA. Thus, the determination of electronic excitation cross sections for biomolecules (such as the nitrogenous bases or the phosphate group) certainly represents a crucial step towards a deeper insight into the mechanisms of DNA damage by secondary electrons and establishes itself as a challenging task for experimentalists and theoreticians. On the experimental point of view, the difficulties for obtaining reliable cross sections are related to the resolution of the molecular spectra via energy loss assignments and widths of spectral features observed and also to the sensitivity of handling very low energy electrons in the electron spectrometer.From the theoretical perspective, there are also subtle aspects related to the description of such kind of processes, observed in applications involving relative small molecules with low-lying excited ...

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Resonant dissociative attachment of electrons to molecules of five-membered heterocyclic compounds and lactams

Cited by 29 publications

References 10 publications

Cross sections for electron scattering from furan molecules: Measurements and calculations

Cross sections for electron scattering from furan molecules: Measurements and calculations

Determination of electron affinity of carbonyl radicals by means of negative ion mass spectrometry

Electronic excitation of gas-phase furan molecules by electron impact

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