Polyhedral dinickelaboranes as analogues of the dicarbaboranes

Polyhedron(2016)

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摘要
Density functional theory of dinickela-boranes Cp2Ni2Bn−2Hn−2 (n=8–12), including the experimentally known 10- and 12-vertex systems, indicates an energetic preference for the most spherical closo deltahedra having non-adjacent nickel atoms with one such nickel atom at a degree 4 vertex.
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关键词
Nickel,Metallaboranes,Dinickelaboranes,Density functional theory
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