Dissociative Electron Attachment to 2,3,6,7,10,11-Hexabromotriphenylene.,The Journal of Physical Chemistry A

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Dissociative Electron Attachment to 2,3,6,7,10,11-Hexabromotriphenylene.
The Journal of Physical Chemistry A ( IF 2.7 ) Pub Date : 2020-01-08 , DOI: 10.1021/acs.jpca.9b11088
Alexey A Goryunkov ₁ , Nail L Asfandiarov ₂ , Mars V Muftakhov ₂ , Ilya N Ioffe ₁ , Vera A Solovyeva ₁ , Natalia S Lukonina ₁ , Vitaliy Yu Markov ₁ , Rustam G Rakhmeyev ₂ , Stanislav A Pshenichnyuk ₂

Affiliation

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.

中文翻译：

离解电子附着到2,3,6,7,10,11-六溴代三亚苯基。

通过离解电子附着光谱法（DEAS）研究了2,3,6,7,10,11-六溴三亚苯（HBTP）和2,3,6,7,10-五溴三亚苯（PBTP）。瞬态分子负离子的主要衰变通道包括在低电子能量区域内通过共振消除Br-。在热电子能量下观察到形成了具有自动分离寿命τa= 310μs的长寿命母体阴离子。使用简单的Arrhenius方法评估的绝热电子亲和力（EAa = HBTP的1.12±0.1 eV和PBTP的1.09±0.1 eV）与DFT（XYG3 / Def2-TZVPP // PBE0 / Def2-TZVPP）预测的相近计算。

更新日期：2020-01-21

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