首页> 外文期刊>The Journal of Chemical Physics >Stabilities of multiply charged dimers and clusters of fullerenes
【24h】

Stabilities of multiply charged dimers and clusters of fullerenes

机译:多电荷二聚体和富勒烯簇的稳定性

获取原文
获取原文并翻译 | 示例
           

摘要

The authors find even-odd variations as functions of r (<=7) for multiple ionization of van der Waals dimers in slow Xe~(30+)+[C_(60)]_2([C_(60)C_(70)])->...+[C_(60)]_2~(r+)([C_(60)C_(60)]~(r+)) electron-transfer collisions. This even-odd behavior is in sharp contrast to the smooth one for fullerene monomers and may be related to even-odd effects in dimer ionization energies in agreement with results from an electrostatic model. The kinetic energy releases for dimer dissociations [predominantly yielding intact fullerenes [C_(60)]_2~(r+)-> C_(60)~(r1+)+C_(60)~(r2+) in the same (r1= r2) or nearby (rl=r2±l) charge states] are found to be low in comparison with the corresponding model results indicating that internal excitations of the separating (intact) fullerenes are important. Experimental appearance sizes for the heavier clusters of fullerenes [C_(60)]_n~(r+) (n > 3 and r=2-5) compare well with predictions from a new nearest-neighbor model assuming that r unit charges in [C_(60)]_n~(r+) are localized to r C_(60) molecules such that the Coulomb energy of the system is minimized. The system is then taken to be stable if (i) two (singly) charged C_(60) are not nearest neighbors and (ii) the r C_(60)~+ molecules have binding energies to their neutral nearest neighbors which are larger than the repulsive energies for the (r-1)C_(60)~+ - C_(60)~+ pairs. Essential ingredients in the nearest-neighbor model are cluster geometries and the present results on dimer stabilities.
机译:作者发现在缓慢的Xe〜(30 +)+ [C_(60)] _ 2([C_(60)C_(70))中范德华二聚体的多个电离作用下,奇数变化作为r(<= 7)的函数。 ])-> ... + [C_(60)] _ 2〜(r +)([C_(60)C_(60)]〜(r +))电子转移碰撞。这种奇数行为与富勒烯单体的光滑行为形成鲜明对比,并且可能与二聚体电离能的奇数效应有关,这与静电模型的结果一致。二聚体解离的动能释放[主要产生完整的富勒烯[C_(60)] _ 2〜(r +)-> C_(60)〜(r1 +)+ C_(60)〜(r2 +)(r1 = r2)与相应的模型结果相比,发现[或附近(r1 = r2±l)电荷态]较低,这表明分离的(完整的)富勒烯的内部激发很重要。假设r单位在[C_ (60)] _ n〜(r +)局部存在于r C_(60)个分子中,从而使系统的库仑能量最小。如果(i)两个(单)带电的C_(60)不是最邻近的邻居,并且(ii)r C_(60)〜+分子具有大于其中性的最邻近邻居的结合能,则该系统被认为是稳定的。 (r-1)C_(60)〜+-C_(60)〜+对的排斥能。最近邻模型中的基本成分是簇的几何形状,当前关于二聚体稳定性的结果。

著录项

相似文献

  • 外文文献
  • 中文文献
  • 专利
获取原文

客服邮箱:kefu@zhangqiaokeyan.com

京公网安备:11010802029741号 ICP备案号:京ICP备15016152号-6 六维联合信息科技 (北京) 有限公司©版权所有
  • 客服微信

  • 服务号