A DFT study on structure, stability, and optical property of fullerenols

Hydration or hydroxylation: direct synthesis of fullerenol from pristine fullerene [C60] via acoustic cavitation in the presence of hydrogen peroxide

“…Aer the ultrasound-assisted functionalization of pure C 60 , the average composition of C and O (C: 82.6 wt% and O: 17.2 wt%) in C 60 (OH) n was rst obtained from SEM-EDS analysis. In pure C 60 , no trace of oxygen (C: 100%) was detected before the reaction which predicts the formation and presence of some oxygen containing functional group(s) in the functionalized C 60 . However, EDS cannot analyze the presence and composition of hydrogen present in a sample.…”

“…Alternatively, it will be advantageous if the formation of cOH radicals can be tuned to form potential fullerenol moieties as well rather than just leaving it as hydrated C 60 . Based on this, we explore an ultrasound induced acoustic cavitation strategy whereby with optimal ultrasonic variables (30% amplitude and 1 h sonication at pulse mode), pristine C 60 is functionalized with -OH groups in aqueous media in the presence of dil.…”

“…Fullerene C 60 , which is specically known as Buckminster fullerene, is a carbon allotrope and has been incessantly reported as a useful potential carbon nanomaterial for various biological and metallurgical applications. [4][5][6] However, owing to its insolubility in most organic and inorganic solvents, 7,8 it is difficult to employ in many prospective studies.…”

“…Ever since the rst preparation of fullerenol, it has been a great challenge to increase the attachment of more hydroxyl groups (-OH) onto the C 60 cage as well as to make the synthesis simpler and faster. The attachment of the largest number of -OH groups [C 60 (OH) 44 $8H 2 O] has been reported by Kokubo et al 16 Zhang et al 17 reported the synthesis of C 60 (OH) 27.2 via mechanochemical means where potassium hydroxide was used as the hydroxylation reagent with C 60 and the two mixed vigorously in a ball mill. Wang et al 18 reported another solvent-free reaction path to obtain C 60 (OH) 16 using a dil.…”

Physico-chemical properties of the water-soluble C70-tris-malonic solutions

“…Analysis of literature reveals the lack of the experimental data devoted to investigation of physico-chemical properties of water-soluble derivatives of fullerenes and there solutions although such kind of research is a basis for the developing and optimization of the water-soluble fullerenes derivatives application. We can cite only several papers devoted to physico-chemical study of the water-soluble fullerenols, C 60 -carboxyfullerene and amino acid derivatives of C 60 water solutions [13][14][15][16][17][18][19][20][21][22].…”