Direct fluorination of fullerenes

“Chemical portrait” of fullerene molecules

“…The obtained results allow us to understand many features in the chemical formation of the families of these derivatives to explain quantitative differences in their synthesis and answer a number of questions arising in the course of the laboratory synthesis [21]. In particular, it is shown that absolute nullification of N DA , appearing as k reaches the value 24 for 60 fluorides, naturally explains the break in the corresponding series of the chemical synthesis on 60 F 48 molecule [4,5].…”

“…Well known reactions of hydration and fluorination of fullerenes in vapors of the corresponding gases are simplest from the computational viewpoint [4,5]. Let us exemplify the methods for such a synthesis by the initial phase of fluorination of 60 molecule.…”

“…Some researchers incline to that the molecule has 30 equivalent reaction centers (by the number of double bonds) due to which most chemical reactions are not selective [2]. It is, however, difficult to reconcile this statement with the presence of primary derivatives of 60 , hydrides and halides, mostly of a specific stoichiometric composition, for example, 60 H 36 , C 60 Hal 24 , C 60 Hal 36 , C 60 Hal 48 [4,5]. Moreover, in obtaining the metallofullerenes, it has been established from the very beginning [1,6] that transition metals are forming an octahedron surrounding for the internal 60 nucleus.…”

Stepwise computational synthesis of fullerene C60 derivatives. Fluorinated fullerenes C60F2k

“…Thus, products with chemical formula C 60 F 18 , C 60 F 36 , C 60 F 48 dominate in the production list whilst minor products from C 60 F 2 to C 60 F 20 have also been identified [6]. Mass spectrometry, IR, 19 F and 3 He NMR spectroscopy manifested themselves as reliable constituents of a convincing analytical platform for the species identification.…”

“…A fluorinated fullerene C 60 decade, started with the first synthesis in 1991 (see reviews [1][2][3][4]) and ended by a generalizing theoretical approach to the fluorinated fullerenes characterization in 2003 [5], without any doubt is one of the best examples of a power and ability of the modern chemistry to produce, characterize, and describe at microscopic level a new family of fascinating chemicals. It is especially impressive since the number of species, hidden under the general formula C 60 F 2k (with k=1,…, 30), is definitely countless if all possible isomers at each particular k are taken into account.…”