Electron attachment to the phthalide molecule

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

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9 Citations (Scopus)

Abstract

© 2015 AIP Publishing LLC. 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 me
Original languageEnglish
JournalJournal of Chemical Physics
Volume142
Issue number17
DOIs
Publication statusPublished - 2015
Externally publishedYes

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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. Journal of Chemical Physics, 142(17). https://doi.org/10.1063/1.4919631