Complexation of trivalent metal cations (Al3+, Ga3+, In3+, La3+, Lu3+) to cucurbiturils: a DFT/SMD evaluation of the key factors governing the host –guest recognition

Phys. Chem. Chem. Phys., 2022, Accepted Manuscript DOI: 10.1039/D1CP04585G, PaperIskra Z Koleva, Stefan Mario Dobrev, Nikoleta Kircheva, Lyubima Dasheva, Valia Nikolova, Silvia Emilova Angelova, Todor Dudev Cucurbiturils (CBs), the pumpkin-shaped macrocycles, are suitable hosts for an array of neutral and cationic species. A plethora of host-guest complexes between CBs and a variety of guest molecules has... The content of this RSS Feed (c) The Royal Society of Chemistry

Source: RSC - Phys. Chem. Chem. Phys. latest articles - February 22, 2022 Category: Chemistry Authors: Iskra Z Koleva Source Type: research