TY - JOUR ID - 85535 TI - The possibility of a two-step oxidation of the surface of C20 fullerene by a single molecule of nitric (V) acid JO - Chemical Review and Letters JA - CRL LA - en SN - 2676-7279 AU - Siadati, Seyyed Amir AU - Kula, Karolina AU - Babanezhad, Esmaiel AD - Department of Chemistry, Qaemshahr Branch, IslamicAzadUniversity, Qaemshahr, Iran AD - Institute of Organic Chemistry and Technology, Cracow University of Technology, Cracow, Poland AD - Department of EnvironmentalHealth, Faculty of Health, Mazandaran University of Medical Sciences, Sari, Iran Y1 - 2019 PY - 2019 VL - 2 IS - 1 SP - 2 EP - 6 KW - nitric (V) acid KW - C20 fullerene KW - molecular mechanism KW - PES KW - reaction channels DO - N2 - < p>Oxidation of fullerenes, carbon nanotubes, and graphene, is one of the first proposed and successful approaches for further functionalization of these nano dimension carbon allotropes. Also, the C20 fullerene, as the smallest known carbon cage, is one of the most important species, in the future of nanotechnology. In this regard, the potential energy surface (PES) study suggests that reaction between nitric (V) acid and C20 fullerene, first leads to the production of a relatively meta-stable kinetically allowed intermediate via a [2+3] cycloaddition. After the intermediate is produced, it would subsequently be decomposed to a C20O open-shell fullerene and a HNO2molecule. Such oxidations were observed via the reaction between strong acids and some of the nano-sized carbon allotropes like carbon nanotube CNTs or spherical fullerenes. The results showed that the produced intermediate directly changes to the final product of oxidation, in a fast process. UR - https://www.chemrevlett.com/article_85535.html L1 - https://www.chemrevlett.com/article_85535_06fb2ad9b3ec1405d88e8317a9bfbb9e.pdf ER -