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首页> 外文期刊>The journal of physical chemistry, A. Molecules, spectroscopy, kinetics, environment, & general theory >Contrasting Behaviors of Metal Fullerides C_(60)Rh_x and C_(60)M_x (M = La, Y) in the Metallofullerene Formation by Laser Ablation
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Contrasting Behaviors of Metal Fullerides C_(60)Rh_x and C_(60)M_x (M = La, Y) in the Metallofullerene Formation by Laser Ablation

机译:激光烧蚀金属富勒烯中金属富勒烯C_(60)Rh_x和C_(60)M_x(M = La,Y)的对比行为

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Contrasting behaviors of Rh with Y(La) in the formation of metallofullerenes by excimer laser ablation of metal fullerides C_(60)Rh_x and C_(60)M_x (M = La, Y) were observed. For Rh, two sequences of rhodium metallofullerenes, C_(2n)Rh and C_(2n+1)Rh with even and odd numbers of carbon atoms, are formed in both the negative and positive ion channels, but for La and Y, only the metallofullerene sequence with even numbers of carbon atoms is formed and only in the positive ion channel. Evidence of the encapsulation of La and Y atoms in fullerene cages forming endohedral fullerenes has been observed, whereas the Rh atom is most probably incorporated into the network of the fullerene cage or pseudo-fullerene forming substitutional metallofullerenes. Density functional theory calculation was performed to determine the structures of the model metallofullerenes C_(53)Rh and C_(54)M (M = Rh and Y). The calculated results are in general consistent with the experimental observations.
机译:观察到通过准分子激光烧蚀金属富勒烯C_(60)Rh_x和C_(60)M_x(M = La,Y)形成金属富勒烯时Rh与Y(La)的对比行为。对于Rh,在负离子和正离子通道中均会形成两个具有偶数和奇数个碳原子的铑金属富勒烯C_(2n)Rh和C_(2n + 1)Rh序列,但是对于La和Y,仅形成具有偶数碳原子的金属富勒烯序列,并且仅在正离子通道中形成。已经观察到La和Y原子在形成内面体富勒烯的富勒烯笼中封装的证据,而Rh原子最有可能掺入形成取代金属富勒烯的富勒烯笼或假富勒烯的网络中。进行密度泛函理论计算以确定模型金属富勒烯C_(53)Rh和C_(54)M(M = Rh和Y)的结构。计算结果总体上与实验观察结果一致。

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