Dissociative Electron Attachment to 2,3,6,7,10,11-Hexabromotriphenylene

Alexey A Goryunkov; Nail L Asfandiarov; Mars V Muftakhov; Ilya N Ioffe; Vera A Solovyeva; Natalia S Lukonina; Vitaliy Yu Markov; Rustam G Rakhmeyev; Stanislav A Pshenichnyuk

doi:10.1021/acs.jpca.9b11088

Dissociative Electron Attachment to 2,3,6,7,10,11-Hexabromotriphenylene

J Phys Chem A. 2020 Jan 30;124(4):690-694. doi: 10.1021/acs.jpca.9b11088. Epub 2020 Jan 17.

Authors

Alexey A Goryunkov¹, Nail L Asfandiarov², Mars V Muftakhov², Ilya N Ioffe¹, Vera A Solovyeva¹, Natalia S Lukonina¹, Vitaliy Yu Markov¹, Rustam G Rakhmeyev², Stanislav A Pshenichnyuk²

Affiliations

¹ Department of Chemistry , Lomonosov Moscow State University , Leninskie Gory, 1-3 , Moscow 119991 , Russia.
² Institute of Molecule and Crystal Physics , Subdivision of the Ufa Federal Research Centre of the Russian Academy of Sciences , Prospekt Octyabrya, 151 , Ufa 450075 , Russia.

PMID: 31914729
DOI: 10.1021/acs.jpca.9b11088

Abstract

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 τ_a = 310 μs is observed at thermal electron energies. The adiabatic electron affinities, EA_a = 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.