Fluorescence of fullerene C70 in ionic liquids

Does the Like Dissolves Like Rule Hold for Fullerene and Ionic Liquids?

“…To recapitulate, an alternative approach to increase dispersion of C 60 molecules was outlined in the present work. Although a zero solubility in [BMIM][BF 4 ] was recorded at 300 K (in perfect agreement with experimental observations 52 ), the solubility increases drastically with temperature: S (310 K)=5 g l -1 , S (320 K)=49 g l -1 , S (333 K)>66 g l -1 . The accuracy of the results is justified by carefully parameterized non-bonded interactions among all components in the simulated system based on electronic structure calculations.…”

“…[48][49][50][51] Fullerene C 60 is nearly insoluble at 300 K. Although the well-ordered periodic structure of the solid phase changes to clusterlike (Figure 4), no fullerene is present in dissolved state (Figure 5) for a significant time during 300 ns of the spontaneous evolution of MD system. This result is in excellent agreement with recent experimental observations, 52 ] becomes outstandingly successful upon just 20 K temperature increase, 5 g l -1 (310 K), 49 g l -1 (320 K), > 66 g l -1 (333 K). Since enthalpic factor does not change significantly between 300 and 320 K, 9 the dissolution is boosted due to entropic factor increase.…”

“…Here, we chose [BMIM][BF 4 ] as an exemplary RTIL due to its wide availability and usability in fundamental research and technology. 36,38,52,54 We suppose that certain other RTILs can exhibit competitive affinity towards fullerene (enthalpic factor). As fullerene exhibits π-stacking with aromatic compounds, one can hypothesize that polyaromatic cations, such as isoquinolinium + , isothiouronium + , triphenylphosphonium + , may be decent solvents.…”

Fullerenes

“…12 The solubility and fluorescence properties of pristine fullerene C 70 in imidazolium, ammonium and phosphonium based ionic liquids bearing long alkyl chains were reported. 13 Systematic theoretical studies have been carried out on the structures, stabilities, aromaticity, and electronic properties of neutral and charged C 66 . 14 Quantum chemical calculations of electronic and geometric structures for all 24 isomers of C 84 fullerenes obeying the isolated pentagons rule were performed.…”

“…131 Three metallofullerene piperazine derivatives [La@C 82 -C 4 N 2 H 8 , La@ 82 -C 4 N 2 H 8 -H 8 , and La@C 82 -C 4 N 2 H 8 -H 6 ] were separated and confirmed by various spectroscopic techniques. 132 A series of 13 C-enriched monoytterbium endohedral metallofullerenes Yb@C 2n -(n = 40, 41, 42) were synthesised and isolated. Their cage structures were systematically determined for the first time using computational and experimental 13 C NMR studies.…”