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

Alexey A GoryunkovNail L AsfandiarovMars V MuftakhovIlya N IoffeVera A SolovyevaNatalia S LukoninaVitaliy Yu MarkovRustam G RakhmeyevStanislav A Pshenichnyuk
Published in: The journal of physical chemistry. A (2020)
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.
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