Coordination Properties of Hydroxyisophthalic Acids: Topological Correlations, Synthesis, Structural Analysis, and Properties of New Complexes

Abstract

Hydroxyisophthalic acids are valuable polytopic ligands for the design of functional materials based on coordination polymers due to the variety of charges and coordination modes they possess. Herein, we describe the synthesis, thermal stability, nonlinear optical (NLO) and spectroscopic properties of five novel coordination com-, and one salt, (NH 4 ) 2 L • 2H 2 O, with 4,5,6-trihydroxyisophthalic acid (H 2 L), which has not been tested in assembling crystalline coordination networks before. The peculiarities of the structural organization of the compounds were analyzed and compared with those for other hydroxyisophthalates. The coordination properties of hydroxyisophthalic acids were studied from the topological point of view, and a comparative topological analysis of coordination and H-bonded networks was performed. Structural correlations revealed in this study could be useful for the design of hydroxyisophthalate-based coordination networks, including porous metal-organic frameworks, proton conductors, and NLO materials.

Construction of Pyrazine-Appended 1D and 3D Cobalt(II) Succinate Coordination Polymers: Influence of Solvent on Architectures and Applications in Gas Adsorption and NAC Detection

“…The underlying net of 1 is 3,5-c fet due to succinate that coordinates three Co atoms (hence 3-c) and 5-c Co atoms that connect two pyrazine and three succinate molecules (Table ). − The hydrogen-bonding interactions of 1 are summarized in Table S3.…”

Topological transformations in metal–organic frameworks: a prospective design route?

“…Various chemical transformations for such cuboctahedral units were studied elsewhere. [36][37][38][39][40][41][42][43][44] The automated construction of the underlying nets and the determination of their topologies can be performed with the ToposPro program package (https://topcryst.com/) or the Internet service TopCryst (https://topcryst.com/). 27,30,31 The CP underlying topologies were studied in a series of comprehensive reviews.…”

On the origin of the combinatorial complexity of the crystal structures with 0D, 1D, or 2D primary motifs

“…Thus, the chirality of the coordination network may result from the network topology and not from the geometry of the structural building units. 10 The complexity of the metal-organic framework may influence the number of adsorption sites required for molecular simulations. 11 Molecules that are weakly or non-phosphorescent in fluid solution can switch to room temperature phosphorescence upon aggregation due to (i) rigidification by crystallization or by encapsulation in a polymeric matrix and (ii) interaction with other molecules of the same type (self-aggregation) or a different type by taking advantage of heavy-atom effects.…”