Oxatub[5,6]arene: synthesis, conformational analysis, and the recognition of C60 and C70

Abstract

Large oxatub[n]arenes (n = 5, 6) have been synthesized and characterized. Their conformational complexity was analyzed and host–guest chemistry was studied. In particular, the rather flexible oxatub[6]arene is able to accommodate C60 and C70 with moderate binding affinities. Computational results suggest that there are different binding affinities to C60 or C70 for each conformer of oxatub[6]arene. This endows oxatub[6]arene with conformational adaptability according to the needs of its guests.