Dissociative Electron Attachment to 2,3,6,7,10,11-Hexabromotriphenylene
| Autor: | Ilya N. Ioffe, Rustam G. Rakhmeyev, Nail L. Asfandiarov, Alexey A. Goryunkov, Vitaliy Yu. Markov, Vera A. Solovyeva, Natalia S. Lukonina, Mars V. Muftakhov, Stanislav A. Pshenichnyuk |
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| Rok vydání: | 2020 |
| Předmět: |
Arrhenius equation
Electron energy 010304 chemical physics Chemistry medicine.drug_class 010402 general chemistry Dissociative 01 natural sciences 0104 chemical sciences Ion symbols.namesake Thermal electron 0103 physical sciences symbols Electron attachment medicine Physical and Theoretical Chemistry Atomic physics Spectroscopy Adiabatic process |
| Zdroj: | The journal of physical chemistry. A. 124(4) |
| ISSN: | 1520-5215 |
| Popis: | 2,3,6,7,10,11-Hexabromotriphenylene (HBTP) and 2,3,6,7,10-pentabromotriphenylene (PBTP) were investigated by means of dissociative electron attachment spectroscopy (DEAS). The dominant decay channel of the transient molecular negative ions consists of elimination of Br– with resonances in the low electron energy region. Formation of long-lived parent anions with autodetachment lifetime τa = 310 μs is observed at thermal electron energies. The adiabatic electron affinities, EAa = 1.12 ± 0.1 eV in HBTP and 1.09 ± 0.1 eV in PBTP, evaluated using a simple Arrhenius approach are in good agreement with those predicted by DFT (XYG3/Def2-TZVPP//PBE0/Def2-TZVPP) calculations. |
| Databáze: | OpenAIRE |
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