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Comment on'Theoretical Investigation of the Formation Mechanism of Metallofullerene Y@C_(82)'

机译:评论“金属富勒烯Y @ C_(82)形成机理的理论研究”

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摘要

A recent study by Gan and Wang characterized a formation mechanism for the metallofullerene Y@C_(82),and the energetically favorable path was determined to be the reaction C_(76)+ YC_6-> Y@C_(82).The YC_6 reactant was portrayed as a six-membered ring of carbon coordinated to a yttrium atom in eta~6 fashion,with C_(6v)or near-C_(6v)point group symmetry.However,what is the stability of this proposed reactant relative to other YC_6 isomers? Will the YC_6 exist in the proposed form with a sufficient lifetime to perform its proposed role in the mechanism?
机译:Gan和Wang最近的一项研究描述了金属富勒烯Y @ C_(82)的形成机理,确定了能量上有利的途径是反应C_(76)+ YC_6-> Y @ C_(82).YC_6反应物被描绘成一个六元碳原子的环,以eta〜6的方式与一个钇原子配位,具有C_(6v)或接近C_(6v)点群对称性。然而,这种拟议的反应物相对于其他原子的稳定性如何? YC_6异构体? YC_6是否以提议的形式存在并且具有足够的生命周期来履行其在机制中的提议角色?

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