Isotopy classes for 3-periodic net embeddings

被引:4
|
作者
Power, Stephe C. [1 ]
Baburin, Igor A. [2 ]
Proserpio, Davide M. [3 ,4 ]
机构
[1] Univ Lancaster, Dept Math & Stat, Lancaster LA1 1SQ, England
[2] Tech Univ Dresden, Theoret Chem, D-01062 Dresden, Germany
[3] Univ Milan, Dipartimento Chim, Milan 20133, Italy
[4] Samara State Tech Univ, Samara Ctr Theoret Mat Sci SCTMS, Samara 443100, Russia
基金
英国工程与自然科学研究理事会;
关键词
periodic nets; embedded nets; coordination polymers; isotopy types; crystallographic frameworks; INORGANIC 3D NETWORKS; CRYSTAL-STRUCTURES; COORDINATION NETWORKS; FRAMEWORKS; DATABASE; GRAPHS; KNOTS;
D O I
10.1107/S2053273320000625
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
Entangled embedded periodic nets and crystal frameworks are defined, along with their dimension type, homogeneity type, adjacency depth and periodic isotopy type. Periodic isotopy classifications are obtained for various families of embedded nets with small quotient graphs. The 25 periodic isotopy classes of depth-1 embedded nets with a single-vertex quotient graph are enumerated. Additionally, a classification is given of embeddings of n-fold copies of pcu with all connected components in a parallel orientation and n vertices in a repeat unit, as well as demonstrations of their maximal symmetry periodic isotopes. The methodology of linear graph knots on the flat 3-torus [0,1)(3) is introduced. These graph knots, with linear edges, are spatial embeddings of the labelled quotient graphs of an embedded net which are associated with its periodicity bases.
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页码:275 / 301
页数:27
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