Theoretical and Structural Relationship Study of Electrochemical Properties of p- Sulfonated Calix[Slarene Macrocycles with Fullerenes as lp-Sulfonated Calliplarenesi@iCsl Supramolecular Complexes
محورهای موضوعی : Journal of Physical & Theoretical ChemistryAvat (Armen) Taherpour 1 , Karim Zare 2 , Leila Bakhtiari 3
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کلید واژه: Calix[larenes, Fullerenes, Free energy of electron transf, Electrochemical properties,
چکیده مقاله :
Up to now, various empty carbon fullerenes with different magic number "n", such as C10, Cow Cm, Cso,Cis** Cm and so on. have been obtained. The calix[n]arenes are a class of chalice-like rnacrocyclicmolecules that have attracted widespread attention as complex molecules with liquid crystal behaviors.These classes of compounds are cyclic ohgomers synthessid by condensation of a para-alkylated phenoland formaldehyde. Quantitative structural relationships have been successfully used to construct effectiveand useful mathematical methods for finding good relationships between structural data and the variouschemical and physical properties. To establish a good structural relationship between the structures offidlerenes C, (n 60, 70, 76, 82 and 86) with p-sulfonated calix[8]arene as supramolecular Brysulfonatedcalix[8]azeneTDIC„) complexes was utilized the number of carbon atoms of the fullerenes "n". In thisstudy, the relationship between number of carbon atoms and the four free energies of electron transfer(40„,7) to 4Gry.0) as assessed using oxidation reduction equation between fullerenes C„ (n 4 60, 70, 76. 82and 86) 1-5 and p-sulfonated ealixI8larene (6) as [P-sulfonated calirltiIarene]@IBti surranteltenarcomplexes (A-E) are presented. The results were extended to calculate she four free energies of electrontransfer (alGtiti, to <1.G.,,4)) of other supramolecular complexes for fullerenes Ctis to Cm, and p-sulfonatedcalm [8] arenes A-I to 4-1.
