Synthesis of a New Cavitand. 2 C60 Complex

Abstract

A new cavitand 2 and its complexation with fullerene to afford complex 3 was prepared and characterized by spectroscopic methods. Macrocycle 2 was studied in solution by NMR, and in the solid state by ¹³C CP-MAS, NMR and X-ray diffraction. The macrocycle 2 can host 2 fullerene C₆₀ molecules in its structure. For the complex 3, π-π, CH-π and n-π interactions were observed by ¹³C CP-MAS and FTIR spectroscopy. MM and MD calculations were carried out.