One Pot Mechanochemical Synthesis of Resorcinol Based Calix[4]arene and It's ab initio Study

Abstract

One pot mechanochemical synthesis of calix[4]arene resorcinol with 12 OH groups has been synthesized and confirmed on the basis of IR, ¹H NMR, ¹³C NMR and elemental analysis. Ab initio molecular orbital calculations at HF/3-21G*, HF/6-31G** and B3LYP/6-31G** levels of theory for geometry optimization are reported for the synthesized resorcinol based calix[4]arene.