Topological ligand design. I. Definition and derivation of simple ligand graph.

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概要

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• A simple ligand graph and a pattern graph are defined topologically in order to design the patterns of the chelating ligands. This ligand graph, which comprises <I>m</I> donor atoms and <I>n</I> carbon chains capable of forming medium-sized chelate rings, is an irregular graph containing neither multiple lines nor self-loops. All the ligand graphs with <I>m</I>≤8 can be systematically obtained from fifty pattern graphs. These are derived from fifteen basic pattern graphs, which are cubic general graphs containing some multiple lines and self-loops. A pattern code and a set of series indices are tabulated for each ligand graph with <I>m</I>≤8. For the ligand graphs with <I>m</I>≤6, all the geometric isomers of their octahedral chelates are also illustrated.

• 公益社団法人 日本化学会の論文

著者

• Takamoto Susumu

  Department of Chemistry, Faculty of Science, Gakushuin University

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• Topological ligand design. I. Definition and derivation of simple ligand graph.

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