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首页> 外文期刊>The European physical journal, D. Atomic, molecular, and optical physics >Simple method for determining fullerene negative ion formation
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Simple method for determining fullerene negative ion formation

机译：确定富勒烯负离子形成的简单方法

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yA robust potential wherein is embedded the crucial core-polarization interaction is used in the Regge-pole methodology to calculate low-energy electron elastic scattering total cross section for the C-60 fullerene in the electron impact energy range 0.02 = E = 10.0 eV. The energy position of the characteristic dramatically sharp resonance appearing at the second Ramsauer Townsend minimum of the total cross section representing stable C-60 (-) fullerene negative ion formation agrees excellently with the measured electron affinity of C-60 [Huang et al., J. Chem. Phys. 140, 224315 (2014)]. The benchmarked potential and the Regge-pole methodology are then used to calculate electron elastic scattering total cross sections for selected fullerenes, from C-54 through C-240. The total cross sections are found to be characterized generally by Ramsauer Townsend minima, shape resonances and dramatically sharp resonances representing long-lived states of fullerene negative ion formation. For the total cross sections of C-70, C-76, C-78, and C-84 the agreement between the energy positions of the very sharp resonances and the measured electron affinities is outstanding. Additionally, we compare our extracted energy positions of the resultant fullerene anions from our calculated total cross sections of the C-86, C-90 and C-92 fullerenes with the estimated electron affinities 3.0 eV by the experiment [Boltalina et al., Rapid Commun Mass Spectrom. 7, 1009 (1993)]. Resonance energy positions of other fullerenes, including C-180 and C-240 are also obtained. Most of the total cross sections presented in this paper are the first and only; our novel approach is general and should be applicable to other fullerenes as well and complex heavy atoms, such as the lanthanide atoms. We conclude with a remark on the catalytic properties of the fullerenes through their negative ions.
机译：尤其是嵌入的稳健电位，嵌入关键的芯偏振相互作用在调节极方法中用于计算电子冲击能量范围0.02°C-60富勒烯的低能量电子弹性散射总横截面。 = 10.0 ev。特性的能量位置在第二ramsauer汤中出现的急剧突出剧烈的突出截面最小，代表稳定的C-60（ - ）富勒烯负离子形成的富烯负离子形成优越，其测量的C-60 [Huang等人， J.Chem。物理。 140,224315（2014）]。然后使用基准潜力和Regge-杆方法来计算来自C-54至C-240的选择富勒烯的电子弹性散射总横截面。发现总横截面通常由Ramsauer Townsend Minima，形状共振，以及表示富勒烯负离子形成的长寿命状态的显着剧烈共振。对于C-70，C-76，C-78和C-84的总横截面，C-84在非常急剧共振的能量位置与测量的电子亲和力之间的协议突出。另外，我们将所得富勒烯阴离子的提取能量位置与我们计算的C-86，C-90和C-92富勒烯的总横截面与估计的电子亲和力和GT; 3.0 EV通过实验[Boltalina等人。 ，快速共产质谱。 7,1009（1993）]。还获得了其他富勒烯的共振能量位置，包括C-180和C-240。本文提出的大多数横截面是第一个且仅限;我们的新方法是一般的，也应该适用于其他富勒烯和复杂的重原子，例如镧系元素。我们结论是关于富勒烯通过它们的负离子的催化性质的评论。

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