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.

Isotopy classes for 3-periodic net embeddings / S.C. Power, I.A. Baburin, D.M. Proserpio. - In: ACTA CRYSTALLOGRAPHICA. SECTION A, FOUNDATIONS AND ADVANCES. - ISSN 2053-2733. - 76:3(2020 May 01), pp. 275-301. [10.1107/S2053273320000625]

Isotopy classes for 3-periodic net embeddings

D.M. Proserpio
2020

Abstract

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.
coordination polymers; crystallographic frameworks; embedded nets; isotopy types; periodic nets
Settore CHIM/03 - Chimica Generale e Inorganica
1-mag-2020
Article (author)
File in questo prodotto:
File Dimensione Formato  
212_2020_ActaA_Igor&Steve_OA.pdf

accesso aperto

Tipologia: Publisher's version/PDF
Dimensione 2.04 MB
Formato Adobe PDF
2.04 MB Adobe PDF Visualizza/Apri
Pubblicazioni consigliate

I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.

Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/2434/732661
Citazioni
  • ???jsp.display-item.citation.pmc??? 3
  • Scopus 4
  • ???jsp.display-item.citation.isi??? 3
social impact