DFT Study of Hydrogen Bonding on Calix[8]arene as Nanostructure Compound

Abstract

An azobenzene bridge was introduced into the lower (or smaller) rim of p-tert-butylcalix[8]arene to form 1,5-<br />singly bridged calix[8]arene derivatives, respectively. Bridged calix[8]arene of conformationally rigid were<br />isolated. The stability of the two structures of bridged calix[8]arenes have been compared.The study of organic<br />structure to form nanoporous structures is a well known in chemistry phenomena to finding crystal structure of<br />calix[8]arene as supramolecular chemistry. The effect of hydrogen bonding on calix[8]arene was reported at<br />Density Functional Theory by Gaussian 98 of program package. The self assembled nanotubes in solid state<br />through network hydrogen bonds between the chains of this structure were investigated.