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
عنوان مجله Journal of Molecular Structure
نوع پژوهش مقاله چاپ شده
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 مسعودمهرابیان (نفر اول)، C.M.Lokesh (نفر دوم)، V.Karthik (نفر سوم)، A.L.Latha (نفر چهارم)، D.Roopa (نفر پنجم)، آلفونزوکاستیناراس (نفر ششم به بعد)، ایزابلگارسیا (نفر ششم به بعد)، سی اسکارسیک (نفر ششم به بعد)، جیوتیرامالینگام (نفر ششم به بعد)، قدرتمحمودی (نفر ششم به بعد)