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Asfandiarov NL, Pshenichnyuk SA, Vorob'ev AS, et al. Electron attachment to the phthalide molecule. J Chem Phys. 2015;142(17):174308doi: 10.1063/1.4919631.
Asfandiarov, N. L., Pshenichnyuk, S. A., Vorob'ev, A. S., Nafikova, E. P., Lachinov, A. N., Kraikin, V. A., & Modelli, A. (2015). Electron attachment to the phthalide molecule. The Journal of chemical physics, 142(17), 174308. https://doi.org/10.1063/1.4919631
Asfandiarov, N L, et al. "Electron attachment to the phthalide molecule." The Journal of chemical physics vol. 142,17 (2015): 174308. doi: https://doi.org/10.1063/1.4919631
Asfandiarov NL, Pshenichnyuk SA, Vorob'ev AS, Nafikova EP, Lachinov AN, Kraikin VA, Modelli A. Electron attachment to the phthalide molecule. J Chem Phys. 2015 May 07;142(17):174308. doi: 10.1063/1.4919631. PMID: 25956101.
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J Chem Phys. 2015 May 07;142(17):174308. doi: 10.1063/1.4919631.

Electron attachment to the phthalide molecule.

The Journal of chemical physics

N L Asfandiarov, S A Pshenichnyuk, A S Vorob'ev, E P Nafikova, A N Lachinov, V A Kraikin, A Modelli

Affiliations

  1. Institute of Molecule and Crystal Physics, Ufa Research Centre, Russian Academy of Sciences, Prospect Oktyabrya 151, 450075 Ufa, Russia.
  2. Bashkir State Pedagogical University, Oktyabrskoy Revolutsii St., 3a, 450000 Ufa, Russia.
  3. Institute of Organic Chemistry, Ufa Research Centre, Russian Academy of Sciences, Prospect Oktyabrya 59, 450075 Ufa, Russia.
  4. Dipartimento di Chimica "G. Ciamician," Universitá di Bologna, Via Selmi 2, 40126 Bologna, Italy.

PMID: 25956101 DOI: 10.1063/1.4919631

Abstract

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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