مشخصات پژوهش

صفحه نخست /2-D polypseudo-rotaxane ...
عنوان 2-D polypseudo-rotaxane network in (4Z,N'Z)-N’-(amino(pyridine-2-yl)methyl)isonicotionhydrazonic (apminh) Pb(II) complex: Synthesis, structural and quantum computational studies
نوع پژوهش مقاله چاپ‌شده در مجلات علمی
کلیدواژه‌ها Pb-based complex Storage device Crystal structure Quantum chemical calculations NBO analysis Charge storage capacity
چکیده The crystal structure of [Pb(apminh)Cl2] has been analyzed, revealing its potential as a useful component in a storage device. The complex crystallizes in the P space group and is composed of a central Pb ion coordinated with two chloride anions and a tridentate apminh organic ligand. The ligand forms two chelating rings with Pb using oxygen and nitrogen atoms, resulting in a trigonal bipyramidal geometry of the central metal ion. The crystal packing of the complex is characterized by distinct intra and intermolecular interactions, with hydrogen bond interactions playing a crucial role. The complex forms 2D polymeric chains with intermolecular π...π stacking, which are bridged by the lattice solvent (methanol) through hydrogen bonds, making the 2D chains more stable. Quantum chemical calculations suggest that the complex has high kinetic stability, low chemical reactivity, electron-donating ability, and high charge storage capacity, making it a promising component for storage devices. The electronic structure analysis demonstrates the insulating nature, stable electronic structure, and long-lasting properties of the complex, providing insights into the chemical properties of the bonding in the complex. Overall, our results highlight the potential of [Pb(apminh)Cl2] as a storage device component, although further experimentation and testing are necessary to determine its suitability for this application.
پژوهشگران قدرت محمودی (نفر ششم به بعد)، جیوتی رامالینگام (نفر ششم به بعد)، سی اس کارسیک (نفر ششم به بعد)، ایزابل گارسیا (نفر ششم به بعد)، آلفونزو کاستیناراس (نفر ششم به بعد)، D. Roopa (نفر پنجم)، A.L. Latha (نفر چهارم)، V. Karthik (نفر سوم)، C.M. Lokesh (نفر دوم)، مسعود مهرابیان (نفر اول)