QUANTUM CHEMICAL MODELING OF THE EFFECT OF INTRAMOLECULAR HYDROGEN BONDING OF MALEIC ACID ON THE STRUCTURE OF MALEIC π-AQUACOMPLEXES СOPPER(I)

• Datum: 2025
• Hauptverfasser: Smirnov, Serhii, Yelahinaa, Natalia, Osokin, Yevhen
• Format: Artikel
• Sprache: English
• Veröffentlicht: V.I.Vernadsky Institute of General and Inorganic Chemistry 2025
• Online Zugang: https://ucj.org.ua/index.php/journal/article/view/727
• Назва журналу: Ukrainian Chemistry Journal

The article investigates the influence of intramolecular hydrogen bonding in the maleic acid molecule on the structure and stability of π-acidoaqua complexes of copper(I) using quantum-chemical modeling (DFT/B3LYP). A comparative analysis of geometric and energy parameters between π-acidoaq...