Exohedral η5-π-complexes of fullerene C20
作者： A. L. Chistyakov , I. V. Stankevich
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摘要: The problem of stabilization polyhedral carbon clusters, which do not obey the isolated pentagon rule, is discussed taking a dodecahedral fullerene C20 as an example. Ab initio MO LCAO calculations in HF/3-21G approximation showed that well its C20H5 hydrides with C5v symmetry can form stable 2η5-π-complexes CpFeC20FeCp and H5C20FeC20H5 types. energies η5-Fe--C20 π-bonds these complexes were compared those Fe--Cp bond ferrocene Fe--C60 η5-π-C60H5FeCp complex.
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