Novel alkali and alkaline earth metal coordination polymers based on 1,4-naphthalenedicarboxylic acid: synthesis, structural characterization and properties

Abstract

Six new alkali and alkaline earth metal coordination polymers based on rigid 1,4-naphthalenedicarboxylic acid (H 2 NDA), [Li(HNDA) 5), and [Ba(NDA)(DMF)] ( 6) have been synthesized under solvothermal conditions in order to evaluate the coordination behavior of H 2 NDA towards Li + , Na + , Mg 2+ , Ca 2+ , Sr 2+ , and Ba 2+ ions and the structural features of the resulted polymeric complexes. Their structures were determined by single-crystal X-ray diffraction studies. The coordination number of the metal ions varies from 4 (for Li), 5 (for Na), 6 (for Na and Mg) to 7 (for Ca, Sr, and Ba), while the number of metal ions bound to the ligand ranges from 2 (Li), 4 (Mg), 5 (Ca, Sr, and Ba) to 8 (Na). Compound 1 has a one-dimensional polymeric structure which is further connected by hydrogen bonds to form a supramolecular assembly. Compound 2 is a three-dimensional metal-organic framework (MOF) possessing hexagonal channels which are built up by helical 1D infinite inorganic chains connected with NDA ligands. Interestingly, the porous MOF, 2, exhibited high gas sorption properties for CO 2 over N 2 . Compound 3 has a three-dimensional structure having 1D inorganic chains connected with NDA ligands in two directions to form a cage-like structure.Compounds 4, 5 and 6 are isostructural, having three-dimensional structures in which 1D inorganic chains are connected by NDA to form a 2-nodal 5,5-connected net. In addition, the solid state photoluminescence properties of all the compounds have also been studied.

Design principles for the ultimate gas deliverable capacity material: nonporous to porous deformations without volume change

“…Sr(NDC) was readily synthesized in large quantities (see S3) and good agreement was obtained between the powder x-ray diffraction (PXRD) of the as-synthesized sample and the previously reported structure (see Figure 9 and S3 for experimental details). Extreme activation condi- tions were originally found to be necessary to overcome the strong binding between the DMF solvent and the open metal site and allow it to release through the narrow pore constrictions in the framework, 28 and we found that heating at 300 • C for 16 hours led to a structural change in the PXRD pattern of the activated sample. The primary reflection is preserved, suggesting that the unit cell remains unchanged.…”

“…Second, rather than computationally screening hundreds of thousands of materials within the rigid structure approximation, we perform a set of detailed density functional theory (DFT) and grand canonical Monte Carlo (GCMC) calculations on a family of intrinsically flexible materials, known as M(NDC) (M={Ca,Sr}, NDC=1,4-naphthalenedicarboxylate). 28 DFT calculations validate some of the key geometric/energetic features of the flexible slit pore model that impart its high deliverable capacity.…”

Hydrothermal Synthesis, Crystal Structure, and Optical Properties of four Supramolecular Coordination Compounds Constructed from 1,10-Phenanthroline and Polycarboxylic Acids, "Координационная химия"

“…2a and Scheme 2. The bond lengths of Cd(1)-N(4), Cd(1)-N(2), Cd(1)-N(3) and [16]. Finally compound II was strengthened by hydrogenbonding interactions (Table 3) and π−π stacking interactions with centroid-centroid distances ranging from 3.465(3) to 3.926(3) Å, as illustrated in Fig.…”

“…3,4-Dicarboxyl-(3',4'-dicarboxylazophenyl)benzene (H 4 Dczpb) [15], 1,4-naphthalenedicarboxylic acid (H 2 Nda) [16,17], pyromellitic acid (H 4 Pma) [18,19] (Scheme 1) had been employed as exo-multidentate ligands for the design and construction of novel coordination polymers owing to their thermal stability and symmetry. In this paper, four supramolecular coordination compounds, namely [Cd(Phen) 2 6 ] · 2H 3 Pma · (H 2 Pma) · 2H 2 O (IV), constructed by Phen, and H 4 Dczpb, H 2 Nda, H 4 Pma with different transition metal ions (Cd 2+ , Mn 2+ , and Co 2+ ) were presented.…”

Metal–Organic Frameworks Constructed from Group 1 Metals (Li, Na) and Silicon-Centered Linkers

“…13 Some Na + -based MOFs have also been reported to possess similar properties to their Li + analogs such as gas sorption, luminescence, and anodes for Na batteries. [22][23][24] Despite this, Na + -based MOFs have been less well studied, partly because the larger cation size results in increased coordination to polar solvents which favors low dimensional coordination networks. 9 Therefore, our understanding of the properties and applications of MOFs based on s-block metals lags significantly behind that of MOFs based on d-block metals.…”