Deprotonation of large calixarenes-cation binding and conformations
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© 2016 CSIRO. Single crystal X-ray studies of p-t-butylcalixarene·2dmso·7H2O (1) and [NMe4][p-t-butylcalixarene-H]·2dmso·H2O (2), provide new data on these large macrocycles and their conformations, that of 2 being the first where an encapsulated [NMe4]+ cation is present, while 1 contains the neutral ligand. Both were obtained as crystalline products of the reactions of the calixarenes with tetramethylammonium hydroxide after prolonged standing. The structure of [NEt4][calixarene-H], in which the cation approaches inclusion in the shallow cone of the anion, is also defined and compared with various other alkylammonium derivatives of calixarenes as well as that of p-t-butylcalixarene.
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