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Gas hydrates and tetrahedrally coordinated structures determined by constructions of algebraic geometry

机译:由代数几何构造确定的天然气水合物和四面体配位结构

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摘要

Graphs of 20-vertex polyhedra-cavities in gas hydrates and particular high-symmetry clusters of tetrahedrally coordinated structures are determined as incidence graphs of Desargues subconfigurations 103, 10 3 3 , and 10 3 4 . It is shown that symmetrically possible mutual transformations of rods of gas hydrates and tetrahedrally coordinated diamond-like structures correspond to conjugate subconfigurations of these configurations. It is established that the relations obtained determine on the symmetry level the mechanisms of incorporation of guest molecules into polyhedra-cavities of gas hydrates and their escape from these cavities. The corresponding structural models of mutual transformations of gas hydrates and tetrahedrally coordinated structures are implemented by the transfer of a minimum number of hydrogen bonds.
机译:确定水合物中20顶点多面体腔的图以及四面体协调结构的特定高对称性簇,作为Desargues子构型103、10 3 3和10 3 4的入射图。结果表明,气体水合物棒和四面体配位的类金刚石结构的对称可能的相互转化对应于这些构型的共轭亚构型。已经确定,所获得的关系在对称水平上确定了客体分子掺入气体水合物的多面体腔中以及它们从这些腔中逸出的机理。气体水合物和四面体配位结构相互转化的相应结构模型是通过转移最少数量的氢键实现的。

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