The Coordination Behavior of Two New Complexes, [(C7H10NO2)CdCl3]n(I) and [(C7H9NO2)CuCl2] (II), Based on 2,6-Dimethanolpyridine; Elaboration of the Structure and Hirshfeld Surface, Optical, Spectroscopic and Thermal Analysis.

Two novel complexes, [(C7H10NO2)CdCl3]n(I) and [(C7H9NO2)CuCl2],havebeen synthesized and characterized. Single crystal X-ray diffraction revealed that in compound (I), 2,6-dimethanol pyridinium acts as a monodentate ligand through the O atom of the hydroxyl group. Contrarily, the 2,6-dimethanol pyridine ligand interacts tridentately with the Cu(II) ion via the nitrogen atoms and the two oxygen (O, O') atoms of the two hydroxyl groups. The structure's intermolecular interactions were studied using contact enrichment ratios and Hirshfeld surfaces. Following metal coordination, numerous hydrogen connections between entities and parallel displacement stacking interactions between pyridine rings dictate the crystal packing of both compounds. The aromatic cycles generate layers in the crystal for both substances. Powder XRD measurements confirmed the crystalline sample phase purity. SEM confirmed the surface homogeneity, whereas EDX semi-quantitative analysis corroborated the composition. IR spectroscopy identified vibrational absorption bands, while optical UV-visible absorption spectroscopy investigated optical properties. The thermal stability of the two materials was tested using TG-DTA.

Polyaniline: Doping and Functionalization with Single Walled Carbon Nanotubes for Photovoltaic and Photocatalytic Application.

Polyaniline (PANI) was chemically doped and functionalized with single walled carbon nanotubes (SWCNTs). Various characterization methods were employed to study the structure and optical properties of PANI/SWCNTs nanocomposite, such as Fourier transform infrared (FTIR), differential scanning calorimetry (DSC), scanning electron microscopy (SEM), optical absorption, and stationary photoluminescence. Additionally, a theoretical study using density functional theory calculations was also carried out. It has been demonstrated that the doping process may reduce the band gap without affecting the molecular structure, leading to a better compatibility with the solar spectrum. Moreover, the functionalization process with SWCNTs was able to significantly improve the properties of the resulting nanocomposite. The final interpenetrating network of PANI/SWCNTs exhibited an optical gap of nearly 2.28 eV, from which localized states induced by the charge transfer were created at nearly 1.70 eV. In addition, the resulting donor-acceptor network leads to a separation of electron holes pairs rather than their recombination, which can be used as an active layer in photovoltaic applications and a photocatalyst for advanced oxidation processes.