Host–Guest chemistry of self-assembled hemi-cage systems: The dramatic effect of lost pre-organization

Vicente Martí-centelles, Fernanda Duarte Gonzalez, Paul Lusby

Research output: Contribution to journalArticlepeer-review

Abstract

New hemi-cage compounds with the formula Pd2(L1)2(L2)2 (L1 = ditopic pyridine ligand, L2 = bpy or TMEDA) have been synthesized and characterized by spectroscopic methods, X-ray crystallography and electronic structure methods. The host–guest chemistry of these new structures, with
naphthoquinone as a guest, reveals the key role of the host shape and flexibility on competitive binding processes. The influence of counteranions, solvent and non-covalent interactions to binding were quantified by Density Functional Theory calculations. Together, this study provides new insights into the con
cept of pre-organized guest binding when applied to charged, coordination-assembled hosts.
Original languageEnglish
JournalIsrael journal of chemistry
Early online date5 Oct 2018
DOIs
Publication statusE-pub ahead of print - 5 Oct 2018

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