Valence points and symmetry views of the structures of carbon clusters, fullerenes and metallofullerenes
作者： Ying-Nan Chiu , Jimei Xiao , Xuliang Jiang , Bo-Cheng Wang , Pavel Galina
DOI: 10.1016/S0166-1280(96)04664-7
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摘要: Abstract Planar Schlegel diagrams of fullerene cages for the reaction mechanisms between open clusters and metals fullerenes are used to determine qualitative symmetry properties. The detailed help illustrate subgroup symmetries that contain localized π bondings with Dewar structure plus free radical electrons, positive negative ions, metal locations, hydrogen additions etc. Cluster interactions include C 36 H 12 , 18 24 20 10 . Free π-electrons shown inside 88 (D 3 ), 82 (C 3v 74 3h 60 (I h 34 ) along their endohedral interaction, single Sc, Y, La Lu having three top electrons s 2 d. Similarly, free-radical 28 (T d 56 interaction Ti, Zr, Hf Th four-top (plus U f d). extra case Ti@C 4 or D 2d is also considered. For dimetal interactions, we consider 84 yielding Sc @C 80 ( I 3d trimetal exohedral 30 5h LaC 29 + 33
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