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

Subject Areas : Journal of Physical & Theoretical Chemistry

M. Sayadian ¹ , K. Zare ² , F. Mollaamin ³

1 - -
2 - -
3 - -

Received: 2015-05-30 Accepted : 2015-05-30 Published : 2011-02-01

Keywords: Calix[8]arene, DFT, HF, Hydrogen bonding, Nanostructure,

Abstract :

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