Abstract:It is well-known that non-IPR fullerenes are highly unstable. For this reason, they cannot be obtained as pristine fullerenes; however, some of them become stable as derivatives (exohedral or endohedral). In this article, we attempted to elucidate in detail molecular structure for such a non-IPR fullerene. Using theoretical approach supported by DFT calculations, the features of molecular structure of isomer 17894 (C1) of fullerene C76 with data about distribution of single, double and delocalized π-bonds as w… Show more
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