%0 Journal Article
%T Aromaticity of fullerenes, the way to their functionalization (Review)
%J Iranian Journal of Mathematical Chemistry
%I University of Kashan
%Z 2228-6489
%A Szefler, B.
%A Pop, R.
%D 2019
%\ 03/01/2019
%V 10
%N 1
%P 71-91
%! Aromaticity of fullerenes, the way to their functionalization (Review)
%K Ab initio
%K Aromatic
%K HOMA
%K NICS
%K fullerene patches
%K Circulene
%K Polybenzenes
%K nanotube junctions
%R 10.22052/ijmc.2019.174207.1430
%X Aromaticity is used to describe the durability and reactivity of structures containing delocalized electrons.In this review article, the aromaticity of fullerenes patched with flowers of 6-and 8-membered ringsis discussed, optimized at the HF and DFT levels of theory, in terms of HOMA and NICS criteria. The aromatic character of these nanostructures allows for functionalization and finally for increasing their solubility in polar solvents. The overall conclusion is that several of the yet hypothetical molecular nanostructures herein described are serious candidates for new medicinal products, as a proposal for personalized medicine.
%U http://ijmc.kashanu.ac.ir/article_87580_d95a512ef99af03fb694424430d68f69.pdf