Novel Conformational Isomerism of Water-Soluble Calixarenes

Article abstract of DOI:10.1016/S0040-4020(01)88184-9

The conformer distribution of 5,11,17,23-tetrasulfonato-25,26,27,28-tetramethoxycalix<4>arene (1) and 5,11,17,23-tetrakis(trimethylammoniomethyl)-25,26,27,28-tetramethoxycalix<4>arene (2) was estimated in an aqueous system.Surprisingly, these calix<4>arenes adopt a 1,3-alternate conformation which has never been found as a major species in organic solvents but has been predicted to be most stable on the basis of computational studies.