A novel approach to prediction of supramolecular motifs was applied to more than 6000 monomolecular structures containing 2-periodic H-bond patterns. It is shown that a number of topological descriptors allow one to rationalize supramolecular motifs, find the regularities in their structure, and store the information in a knowledge database. The knowledge database can then be used in an expert system to mimic the work of a human expert and to forecast the method of assembling molecules into supramolecular ensembles and into extended (periodic) architectures. The crystals of N-[(4-methylbenzene)sulfonyl]serine were synthesized, and the principles of the expert system were used to successfully predict the 2-periodic square-lattice H-bond pattern in this compound.
An advanced nanocomposite, polyaniline tungstophosphate (PANI‐WP) cation exchanger, was synthesized by simple solution method and treated with silver nitrate resulting silver embedded PANI‐WP (PANI‐WP/Ag). Spectroscopic characterization of PANI‐WP/Ag was carried out by scanning electron microscopy, fourier transform infrared spectroscopy, UV‐Visible spectroscopy, and X‐ray diffraction. Electrical conductivity measurements and thermal effect on conductivity of PANI‐WP/Ag was studied after acid treatment. The dc electrical conductivity was found 3.06 × 10 −3 S cm −1 for HCl doped, measured by 4‐in line‐probe dc electrical conductivity measuring technique. Thermal conductivity is stable with all temperatures in isothermal studies showing excellent stability of PANI‐WP/Ag material. Hybrid showed better linear Arrhenius electric conducting response for semiconductors, stable upto 120°C. It was observed that conductivity is at the border of metallic and semiconductor region. POLYM. COMPOS., 37:2460–2466, 2016. © 2015 Society of Plastics Engineers
Metal-organic frameworks (MOFs) are composed of particles with 3D geometry and are currently among the most widely studied heterogeneous catalysts. To further increase their activity, one of the recent trends is to develop related 2D materials with a high aspect ratio derived from a large lateral size and a small thickness. Here, the use of these 2D MOFs as catalysts, electrocatalysts, and photocatalysts is summarized, illustrating the advantages of these 2D materials compared to analogous 3D MOFs. The state of the art is summarized in tables and, when possible, pertinent turnover number (TON) and frequency (TOF) values. This enhanced activity of 2D MOFs derives from the accessibility of the active sites, the presence of a higher density of defects, and exchangeable coordination positions around the MOFs, as well as from their ability to form thin films on electrodes or surfaces. The importance of providing convincing evidence of the stability of 2D MOFs under reaction conditions and general characterization data of the used 2D material after catalysis is highlighted. In the last part, views regarding challenges in the field and new developments that can be expected are presented.
In the title compound, C(16)H(13)ClN(2)S, the dihedral angle between the 4-chloro-benzaldehyde moiety and the heterocyclic five-membered ring is 7.21 (17)°. In the crystal, mol-ecules are linked by weak C-H⋯π inter-actions, generating [100] chains.