A hybrid material based on a 1D copper chloride perovskite network with hexahydro-1,4-diazepine, (C5H14N2)[CuCl4], was grown at room temperature by slow evaporation. This compound crystallizes in the monoclinic space group...

A manganese (II) complex templated by hexahydro-1,4-diazepinediium as a counter ion was grown by slow evaporation from an aqueous solution at room temperature. The X-ray diffraction analysis revealed that the compound (C5H14N2)[MnCl4(H2O)2] crystallizes in the centrosymmetric space group P2/c of the monoclinic system. The crystal structure of the Mn(II) complex is characterized by an alternation of 0-dimensional organic and inorganic stacks linked together by N/O-H…Cl and N-H…O hydrogen bonds, which lead to a three-dimensional supramolecular architecture. In this structure, the inorganic layer is built up by independent anionic moieties combining the two isomers cis/trans of [MnCl4(H2O)2]2−. The thermal decomposition was studied by TGA-DTA techniques. The optical band gap and Urbach energy were obtained by Tauc’s equation. The direct and indirect band gap values are found to be 4.58 and 4.44 eV, respectively. Weak antiferromagnetic interactions are present in the molecule under study, according to magnetic measurements. An agar well diffusion technique was used to assess the synthetic compound’s biological activity, and the results showed that it has potent antibacterial (Gram-positive and Gram-negative) properties. Interestingly, the synthesized compound also displayed antilipase activity. These biological activities have been confirmed by the bioavailability and pharmacokinetic analyses.

Crystals of the new organic−inorganic material (DAP-H2)[CuBr 4 ] (1); (DAP = hexahydrodiazepine (C 5 H 14 N 2 )) were successfully synthesized by slow evaporation and characterized by single-crystal X-ray diffraction, infrared spectroscopy, thermal analysis, UV−Vis−NIR diffuse reflectance spectroscopy, and magnetic measurements. X-ray investigation demonstrates that 1 crystallizes in the monoclinic space group C2/c. The supramolecular crystal structure of 1 is guided by several types of hydrogen bonding which connect anions and cations together into a three-dimensional network. The optical band gap was determined by diffuse reflectance spectroscopy to be 1.78 eV for a direct allowed transition, implying that it is suitable for light harvesting in solar cells. The vibrational properties of this compound were studied by infrared spectroscopy, while its thermal stability was established by simultaneous TGA−DTA from ambient temperature to 600 °C. The study of the photoresponse behavior of an optoelectronic device, based on (C 5 H 14 N 2 )[CuBr 4 ], has shown a power conversion efficiency (PCE) of 0.0017%, with J sc = 0.0208 mA/cm 2 , V oc = 313.7 mV, and FF = 25.46. Temperature dependent magnetic susceptibility measurements in the temperature range 1.8−310 K reveal weak antiferromagnetic interactions via the two-halide superexchange pathway [2J/k B = −8.4(3) K].