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- W4328004943 abstract "The method of dissociative electron attachment (DEA) spectroscopy was used to study the attachment of electrons to 1-chloronaphthalene molecules. It has been established that the dominant channel for the decay of molecular ions is the formation of Cl - ions in three resonances at 0.7, 1.5, and 3.0 eV. Ions [M-H] - and [M-Cl] - are observed at energies from 3.5 to 8.5 eV and have two to three orders of magnitude lower formation cross sections. Long-lived molecular ions were not registered. Calculations in the DFT CAM B3LYP/6-311+G(d,p) approximation predict the presence of six stable anionic structures in which the chlorine anion is coordinated to the neutral residue via noncovalent H-Cl^--H bonds. The electron affinity of the most stable of these structures coincides with the experimentally measured value EA_a=0.2771±0.003 eV. These results agree with the previously obtained data on the DEA of molecules of bromine-substituted biphenyls, naphthalenes, and anthracenes and confirm the existence of anionic structures with non-covalent H-Hal-H bonds. Such non-covalent anion structures should be extremely reactive, which makes them promising for the synthesis of self-assembling hydrocarbon nanomembranes. Keywords: Attachment of electrons to molecules, electron affinity, potential surface, DFT calculations." @default.
- W4328004943 created "2023-03-22" @default.
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- W4328004943 date "2022-01-01" @default.
- W4328004943 modified "2023-10-16" @default.
- W4328004943 title "Non-covalent structures of negative ions formed during the dissociative capture of electrons by molecules" @default.
- W4328004943 doi "https://doi.org/10.21883/tp.2022.11.55171.157-22" @default.
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