Temporary anion states and dissociative electron attachment to nitrobenzene derivatives

Asfandiarov, N. L.; Pshenichnyuk, S. A.; Lukin, V. G.; Pshenichnyuk, Ivan A.; Modelli, Alberto; Matejčík, Štefan

doi:10.1016/j.ijms.2007.03.013

Cited by 30 publications

(24 citation statements)

References 32 publications

(63 reference statements)

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“…6 show the anion efficiency curves of all product ions measured upon DEA to PETN. For several intense fragments isotopic peaks containing 13 C,15 N,17 O, and…”

mentioning

confidence: 99%

Dissociative electron attachment to pentaerythritol tetranitrate: Significant fragmentation near 0 eV

Edtbauer

Sulzer

Mauracher

et al. 2010

The Journal of Chemical Physics

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Gas phase dissociative electron attachment (DEA) measurements to pentaerythritol tetranitrate (PETN) are performed in a crossed electron-molecular beam experiment at high-energy resolution and high sensitivity. DEA is operative at very low energies close to approximately 0 eV showing unique features corresponding to a variety of fragment anions being formed. There is no evidence of the parent anion formation. The fragmentation yields are also observed for higher electron energies and are operative via several resonant features in the range of 0-12 eV. In contrast to nitroaromatic compounds, PETN decays more rapidly upon electron attachment and preferentially low-mass anions are formed. The dominant fragment ion formed through DEA is assigned to the nitrogen trioxide NO(3)(-) and represents about 80% of the total anion yield. Further intense ion signals are due to NO(2)(-) (11%) and O(-) (2.5%). The significant instability of PETN after attachment of an electron with virtually no kinetic energy confers a highly explosive nature to this compound.

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“…6 show the anion efficiency curves of all product ions measured upon DEA to PETN. For several intense fragments isotopic peaks containing 13 C,15 N,17 O, and…”

mentioning

confidence: 99%

Dissociative electron attachment to pentaerythritol tetranitrate: Significant fragmentation near 0 eV

Edtbauer

Sulzer

Mauracher

et al. 2010

The Journal of Chemical Physics

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“…2. The detachment lifetime of this shape resonance is long enough to allow electron shell relaxation into the ground (vibrationally excited) electronic state of the anion, 22,23 and also geometry relaxation toward the minimum of the anion potential energy, 24,31 achieved by cleavage of a C-O bond of the five-membered ring. These different channels of the molecular anion decay are in competition.…”

Section: Resultsmentioning

confidence: 99%

Electron attachment to the phthalide molecule

Asfandiarov

Pshenichnyuk

Воробьев

et al. 2015

The Journal of Chemical Physics

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Phthalide, the simplest chain of conductive polymer thin film, was investigated by means of Electron Transmission Spectroscopy, Negative Ion Mass Spectrometry, and density functional theory quantum chemistry. It has been found that formation of gas-phase long-lived molecular anions of phthalide around 0.7 eV takes place through cleavage of a C-O bond of the pentacyclic ring of the parent molecular anion to give a vibrationally excited (electronically more stable) open-ring molecular anion. The energy of the transition state for ring opening of the parent negative ion is calculated to be 0.65 eV above the neutral ground state of the molecule. The energy (2.64 eV) evaluated for the corresponding transition state in the neutral molecule is much higher, so that the process of electron detachment from the anion must lead to a neutral molecule with its initial pentacyclic structure. The average lifetime of the molecular negative ions formed at an electron energy of 0.75 eV and 80 °C is measured to be about 100 μs. The known switching effect of thin phthalide films could stem from the presence of a similar open/closed transition state also in the polymer.

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“…The NIMS experiment was performed using a MI-1201 mass spectrometer described in details in [1]. In the mass spectrometer an electron beam passes through the ionization chamber filled with the gas-phase compound under investigation.…”

Section: Methodsmentioning

confidence: 99%

“…nitrobenzene [1] and anthraquinone derivatives [2], may produce long-lived molecular negative ions (MNI) having a dissociation decay channel at low electron energies. Their NIMS have peaks at the molecular mass what proves that the dissociation proceeds on a time scale comparable with the time of flight through a mass spectrometer-tens of microseconds.…”

Section: Introductionmentioning

confidence: 99%