A New Group of Edge-transitive 3-Periodic Nets and Their Derived Nets for Reticular Chemistry

Abstract

Edge-transitive and related minimal transitivity nets play a central role in the designed synthesis of crystalline framework materials (reticular chemistry), in particular, metal−organic frameworks (MOFs). We report a new family of thirteen edge-transitive nets that have previously gone unidentified theoretically and their associated minimal transitivity nets. Their relevance to existed materials is noted, uncovering new nets with minimal transitivity 3 2 (three kinds of nodes and two kinds of edges), mostly never known or observed in real crystals, for future design.

Net-clipping as a top-down approach for the prediction of topologies of MOFs built from reduced-symmetry linkers

“…In the present work, we analysed the 54 edge-transitive nets (with D-symbol size ≤ 32, and excluding those with collisions) 27 and selected those comprising nodes with connectivity 4, 6, 8, or 12 matching vertex figures of tetrahedra, hexagons, cubes or hexagonal prisms, respectively. 28 We then derived these nets by splitting their nodes to reduce the symmetry of the MBB (Fig.…”

Building a cobaloxime-based metal–organic framework for photocatalytic aerobic oxidation of arylboronic acids to phenols

“…No desired product was detected under an argon atmosphere (Table 1, entry 8). Further control experiments revealed that light, Zr-TCPCo and Et 3 N were essential parameters to the reaction, and in their absence, no desired transformation was observed (Table 1, entries [8][9][10][11].…”

“…acetate). It should be noted that there are two other edge-transitive (4,6)-c nets, nts and cyb , for linking squares and hexagons, 11 but they require parallel squares in close proximity, and so are not suitable for the cobaloxime moiety with axially coordinated molecules.…”

Polynuclear Rare-Earth Cluster-Directed Self-Assembly of Highly Porous Zeolite-like Metal–Organic Frameworks with Methane Storage Property

“…The new zeolitic net is very complicated, having transitivity of 6 15 (i.e., with 6 types of vertices and 15 types of edges), and therefore is not collected in the Reticular Chemistry Structure Resource (RCSR) database and, instead, is published along with this paper (see Figure S9 and the .cgd file in the Supporting Information). − …”

“…The new zeolitic net with both D6R and D4R is suggested to have the three-letter symbol lhx in RCSR (Figures S18 & S19 and .cgd file in Supporting Information). − We note that the structures of ZIF-412/413/414 also have D6R and D4R, and their underlying net ucb has the same transitivity 3 10 (i.e., has 3 types of nodes and 10 types of edges) with lhx .…”