Theoretical and Structural Relationship Study of Electrochemical Properties of p- Sulfonated Calix[Slarene Macrocycles with Fullerenes as lp-Sulfonated Calliplarenesi@iCsl Supramolecular Complexes

Abstract

Up to now, various empty carbon fullerenes with different magic number "n", such as C10, Cow Cm, Cso,<br />Cis** Cm and so on. have been obtained. The calix[n]arenes are a class of chalice-like rnacrocyclic<br />molecules that have attracted widespread attention as complex molecules with liquid crystal behaviors.<br />These classes of compounds are cyclic ohgomers synthessid by condensation of a para-alkylated phenol<br />and formaldehyde. Quantitative structural relationships have been successfully used to construct effective<br />and useful mathematical methods for finding good relationships between structural data and the various<br />chemical and physical properties. To establish a good structural relationship between the structures of<br />fidlerenes C, (n 60, 70, 76, 82 and 86) with p-sulfonated calix[8]arene as supramolecular Brysulfonated<br />calix[8]azeneTDIC„) complexes was utilized the number of carbon atoms of the fullerenes "n". In this<br />study, the relationship between number of carbon atoms and the four free energies of electron transfer<br />(40„,7) to 4Gry.0) as assessed using oxidation reduction equation between fullerenes C„ (n 4 60, 70, 76. 82<br />and 86) 1-5 and p-sulfonated ealixI8larene (6) as [P-sulfonated calirltiIarene]@IBti surranteltenar<br />complexes (A-E) are presented. The results were extended to calculate she four free energies of electron<br />transfer (alGtiti, to <1.G.,,4)) of other supramolecular complexes for fullerenes Ctis to Cm, and p-sulfonated<br />calm [8] arenes A-I to 4-1.