Ion-pi interaction
WebComputation of Cation–ππ Interactions Energy The cation– π interaction energy in each enzyme has been calculated using the program CaPTURE (Gallivan and Dougherty, 1999). Initially cation- π interactions were iden-tified with approximate distance based criteria. Energeti-cally significant cation- interactions can be obtained byπ Web12 jul. 2024 · Investigation of the crystal structure of complex 1 reveals that the complex includes one Co(II) ion, one (L1)2− unit and two coordinated water molecules. Complex 1 shows slightly distorted octahedral coordination geometry, forming an infinite 2D supramolecular structure by intermolecular hydrogen bond and π–π stacking interactions.
Ion-pi interaction
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Web8 sep. 2024 · Ion-induced dipole interactions also play a crucial role in binding between cation and π-system, and to a greater extent in complexes to the smallest cation as … Web16 apr. 2013 · Many studies have shown that cation-π interactions can enhance binding energies by 2-5 kcal/mol, making them competitive with hydrogen bonds and ion pairs …
Web1 dag geleden · Download Citation Anion−π Interactions in Monolayers Formed by Amphiphilic Electron-Deficient Aromatic Compounds at Air/Water Interfaces Biological systems precisely and selectively control ... Web7 dec. 2024 · In chemistry, π-effects or π-interactions are a type of non-covalent interaction that involves π systems. Just like in an electrostatic interaction where a region of negative charge interacts with a positive charge, the electron-rich π system can interact with a metal (cationic or neutral), an anion, another molecule and even another π system.
Web11 apr. 2011 · The strength of the ion–π interaction is considerably influenced by the presence of hydrogen bonding or other weaker interactions. These influences can be used to tune the interaction, either weakening or strengthening it. Web7 dec. 2012 · A Brief (Personal) History of the Cation-π Interaction. In 1981, Kebarle showed that K + binds to benzene with a −ΔH° of 19 kcal/mol, and K + binds to water with a −ΔH° of 18 kcal/mol. 1 An ion, naked in the gas phase and desperate for solvation, choosing between water with its lone pairs and large dipole moment vs. a hydrocarbon, …
Several criteria influence the strength of the bonding: the nature of the cation, solvation effects, the nature of the π system, and the geometry of the interaction. From electrostatics (Coulomb's law), smaller and more positively charged cations lead to larger electrostatic attraction. Since cation–π interactions are predicted by electrostatics, it follows that cations with larger charge density interact mor…
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