Study on Effect of Addition of Nicotine on Nanofullerene Structure C60 As A Medicine Nano Carrier

Roya Ahmadi¹, Reza Soleymani^2* and Tahereh Yousofzad¹

¹Department of Chemistry, Shahre-rey Branch, Islamic Azad University, Tehran, (Iran). ²Young Researchers Club, Shahre-rey Branch, Islamic Azad University, Tehran, (Iran)

ABSTRACT:

In recent years, many studies have been done on structure of fullerene as medicine nano-carriers compounds. On this basis, some studies were done on this field and effect of nicotine compound on structure of nanofullerene C60 was studied. Mechanical quantum calculations in theory level of B3LYP/6-31G and HF/6-31G were performed on structure of nicotine and nanofullerene-nicotine with different halogen substitutions and some different properties such as energetic levels and stability, HOMO and LUMO levels, chemical hardness, chemical potential and electrophilicity value were studied. The obtained results showed that energy levels decreased considerably by linking structure of nicotine to structure of nanofullerene C60 and study of dipole moment values shows that linking between nicotine to nanofullerene C60 reduces its solubility. In study of some other characters such as chemical potential, chemical hardness, electrophilicity in these two structures showed that change in substitution (X=F, Cl, Br and H) changed values of these parameters. These changes show dependency of the results on power of electro negativity and atomic radius of substitution X.

KEYWORDS:

DFT; Electrophilicity; Chemical hardness; Chemical potential; Nano Fullerene

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Copy the following to cite this article: Ahmadi R, Soleymani R, Yousofzad T. The One-Pot Three Components of Iodone, Schiff Base and Epoxide for Synthesis of Iodohydrins. Orient J Chem 2012;28(2).

Copy the following to cite this URL: Ahmadi R, Soleymani R, Yousofzad T. The One-Pot Three Components of Iodone, Schiff Base and Epoxide for Synthesis of Iodohydrins. Available from: http://www.orientjchem.org/?p=23405