A topological method for the classification of entanglements in crystal networks

A rigorous method is proposed to describe and classify the topology of entanglements between periodic networks if the links are of the Hopf type. The catenation pattern is unambiguously identified by a net of barycentres of catenating rings with edges corresponding to the Hopf links; this net is called the Hopf ring net. The Hopf ring net approach is compared with other methods of characterizing entanglements; a number of applications of this approach to various kinds of entanglement (interpenetration, polycatenation and self-catenation) both in modelled network arrays and in coordination networks are considered.

[1]  V. Blatov,et al.  Underlying nets in three-periodic coordination polymers: topology, taxonomy and prediction from a computer-aided analysis of the Cambridge Structural Database , 2011 .

[2]  W. Fischer,et al.  Interpenetration of homogeneous sphere packings and of two-periodic layers of spheres. , 2006, Acta crystallographica. Section A, Foundations of crystallography.

[3]  V. Blatov Topological relations between three-dimensional periodic nets. I. Uninodal nets. , 2007, Acta crystallographica. Section A, Foundations of crystallography.

[4]  J. Xu,et al.  Metal–organic frameworks based on the pyridine-2,3-dicarboxylate and a flexible bispyridyl ligand: syntheses, structures, and photoluminescence , 2009 .

[5]  S. Hyde,et al.  From untangled graphs and nets to tangled materials , 2011 .

[6]  Wenbin Lin,et al.  Rational Design of Nonlinear Optical Materials Based on 2D Coordination Networks , 2001 .

[7]  R. Laduca,et al.  Layered metal succinate/bis(4-pyridylmethyl)piperazine coordination polymers featuring mutual inclined interpenetration , 2008 .

[8]  S. Batten,et al.  Ni(tpt)(NO3 )2 -A Three-Dimensional Network with the Exceptional (12,3) Topology: A Self-Entangled Single Net. , 1999, Angewandte Chemie.

[9]  Leonard R. MacGillivray,et al.  Metal-organic frameworks : design and application , 2010 .

[10]  Miao Du,et al.  Design and construction of self-penetrating coordination frameworks , 2011 .

[11]  M. O'keeffe,et al.  The Reticular Chemistry Structure Resource (RCSR) database of, and symbols for, crystal nets. , 2008, Accounts of chemical research.

[12]  Stuart R Batten,et al.  Interpenetrating Nets: Ordered, Periodic Entanglement. , 1998, Angewandte Chemie.

[13]  W. Fischer,et al.  Durchdringungen von Kugelpackungen mit kubischer Symmetrie , 1976 .

[14]  V. Blatov,et al.  Interpenetrating metal-organic and inorganic 3D networks: a computer-aided systematic investigation. Part II [1]. Analysis of the Inorganic Crystal Structure Database (ICSD) , 2005 .

[15]  Yao Kang,et al.  Twofold parallely interpenetrated 2D polymers of d10 zinc and cadmium based on mixed nicotinate/isonicotinate ligands , 2007 .

[16]  Davide M. Proserpio,et al.  POLYCATENATION, POLYTHREADING AND POLYKNOTTING IN COORDINATION NETWORK CHEMISTRY , 2003 .

[17]  R. Robson,et al.  Design and construction of a new class of scaffolding-like materials comprising infinite polymeric frameworks of 3D-linked molecular rods. A reappraisal of the zinc cyanide and cadmium cyanide structures and the synthesis and structure of the diamond-related frameworks [N(CH3)4][CuIZnII(CN)4] and Cu , 1990 .

[18]  Michael O'Keeffe,et al.  Vertex-, face-, point-, Schläfli-, and Delaney-symbols in nets, polyhedra and tilings: recommended terminology , 2010 .

[19]  Vladislav A. Blatov,et al.  Interpenetrated three-dimensional hydrogen-bonded networks from metal–organic molecular and one- or two-dimensional polymeric motifs , 2008 .

[20]  Michael O'Keeffe,et al.  What do we know about three-periodic nets? , 2005 .

[21]  Michael O'Keeffe,et al.  Three-periodic nets and tilings: natural tilings for nets. , 2007, Acta crystallographica. Section A, Foundations of crystallography.

[22]  V. Blatov,et al.  Topological relations between three-periodic nets. II. Binodal nets. , 2009, Acta crystallographica. Section A, Foundations of crystallography.

[23]  Michael O'Keeffe,et al.  Crystal nets as graphs: Terminology and definitions , 2005 .

[24]  Xinhua Li,et al.  Hydrothermal Synthesis, Structure, and Magnetic Properties of a Three‐dimensional Polymeric NiII Complex, [Ni(bpp)(NIP)(H2O)]n (bpp = 1,3‐di(4‐pyridyl)propane, NIP = 5‐nitroisophthalate) , 2005 .