0000000000019212
AUTHOR
Małgorzata Pamuła
Binding of ion pairs and neutral guests by aryl-extended meso‑p-hydroxyphenyl calix[4]pyrrole : The interplay between three binding sites
An aryl-extended calix[4]pyrrole with four meso‑p-hydroxyphenyl substituents was investigated as a host for chloride, acetate, and benzoate anions. Crystal structures of pyridinium and imidazolium chloride complexes were obtained in which chloride ions are hydrogen bonded exo-cavity to the upper rim hydroxyl groups, and the aromatic cations are bound to the shallow cavity of the host. Furthermore, the calix[4]pyrrole formed a hydrogen bonded dimeric capsule templated by inclusion of adiponitrile guest in the endo-cavity binding site. NMR titrations revealed the preference of the OH groups of the host to bind anionic guests in solution. Benzoate anion had the highest binding constant (4 700 …
Correlating Solution‐ and Solid‐State Structures of Conformationally Flexible Resorcinarenes: Significance of a Sulfonyl Group in Intramolecular Self‐Inclusion
Abstract The synthesis of tetramethoxyresorcinarene podands bearing p‐toluene arms connected by ‐SO3‐ (1) and ‐CH2O‐ (2) linkers is presented herein. In the solid state, the resorcinarene podand 1 forms an intramolecular self‐inclusion complex with the pendant p‐toluene group of a podand arm, whereas the resorcinarene podand 2 does not show self‐inclusion. The conformations of the flexible resorcinarene podands in solution were investigated by variable‐temperature experiments using 1D and 2D NMR spectroscopic techniques as well as by computational methods, including a conformational search and subsequent DFT optimisation of representative structures. The 1H NMR spectra of 1 and 2 at room te…
CCDC 1963708: Experimental Crystal Structure Determination
Related Article: Małgorzata Pamuła, Maija Nissinen, Kaisa Helttunen|2020|Chem.-Eur.J.|26|7374|doi:10.1002/chem.201905211
CCDC 2175936: Experimental Crystal Structure Determination
Related Article: Małgorzata Pamuła, Evgeny Bulatov, Kaisa Helttunen|2023|J.Mol.Struct.|1273|134268|doi:10.1016/j.molstruc.2022.134268
CCDC 2175934: Experimental Crystal Structure Determination
Related Article: Małgorzata Pamuła, Evgeny Bulatov, Kaisa Helttunen|2023|J.Mol.Struct.|1273|134268|doi:10.1016/j.molstruc.2022.134268
CCDC 2175935: Experimental Crystal Structure Determination
Related Article: Małgorzata Pamuła, Evgeny Bulatov, Kaisa Helttunen|2023|J.Mol.Struct.|1273|134268|doi:10.1016/j.molstruc.2022.134268
CCDC 1963709: Experimental Crystal Structure Determination
Related Article: Małgorzata Pamuła, Maija Nissinen, Kaisa Helttunen|2020|Chem.-Eur.J.|26|7374|doi:10.1002/chem.201905211