Electron Donor-Acceptor Interactions of C<sub>60</sub>with n-andπ-Donors: A Rational Approach Towards its Solubility

Talukdar, Sanjay; Pradhan, Padmanava; Banerji, Asoke

doi:10.1080/15363839708015907

Cited by 30 publications

(37 citation statements)

References 16 publications

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“…This limit was achieved and exceeded at 333 K. Compare 66 g l -1 to the solubility potential of "reactive" solvents. 14 solvation behavior drastically. It happens at higher temperatures (e.g.…”

Section: Insights From Large-scale Molecular Dynamicsmentioning

confidence: 97%

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

2014

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Over 150 solvents have been probed to dissolve light fullerenes, but with a quite moderate success. We uncover unusual mutual polarizability of C 60 fullerene and selected room-temperature ionic liquids (RTILs), which can be applied in numerous applications, e.g. to significantly promote solubility/miscibility of highly hydrophobic C 60 molecule. We report electron density and molecular dynamics analysis supported by the state-of-the-art hybrid density functional theory and empirical simulations with a specifically refined potential.The analysis suggests a workability of the proposed scheme and opens a new direction to obtain well-dispersed fullerene containing systems. A range of common molecular solvents and novel ionic solvents are compared to 1-butyl-3-methylimidazolium tetrafluoroborate.

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Section: Insights From Large-scale Molecular Dynamicsmentioning

confidence: 97%

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

2014

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“…In Figure 2, we have summarized the available results on the solubility of C 60 fullerene in different solvents. Motivations for studying the solubility of fullerenes in solvents include exploring chemical reactions pathways for fullerene, their purification methods, and extracting higher fullerenes [66,[89][90][91][92][93][94][95][96][97][98][99][100][101]. Also, the aqueous solubility of fullerenes with the use of surfactants has been investigated for potential biological applications and the results are included in Figure 2 [102][103][104][105][106].…”

Section: Chemical Cleaningmentioning

confidence: 99%

Decontamination of Surfaces Exposed to Carbon‐Based Nanotubes and Nanomaterials

Haghpanah

Doerr

et al. 2014

Journal of Nanomaterials

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Contamination of surfaces by nanomaterials can happen due to accidental spillage and release or gradual accumulation during processing or handling. Considering the increasingly wide use of nanomaterials in industry and research labs and also taking into account the diversity of physical and chemical properties of different nanomaterials (such as solubility, aggregation/agglomeration, and surface reactivity), there is a pressing need to define reliable nanomaterial-specific decontamination guidelines. In this paper, we propose and investigate a potential method for surface decontamination of carbon-based nanomaterials using solvent cleaning and wipes. The results show that the removal efficiency for single- and multiwalled carbon nanotubes from silicon wafers sprayed with water-surfactant solutions prior to mechanical wiping is greater than 90% and 95%, respectively. The need for further studies to understand the mechanisms of nanomaterial removal from surfaces and development of standard techniques for surface decontamination of nanomaterials is highlighted.

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“…Fullerenes are soluble in organic solvents (e.g., toluene, piperidine, pyrrolidine, etc.) 17 but these solvents are not appropriate to be introduced into biological systems; so several ways have been found to solve this problem of the low solubility of fullerene in aqueous media. *…”

Section: Introductionmentioning

confidence: 99%

Thermodynamics of association of water soluble fullerene derivatives [ $$\hbox {C}_{60}\hbox {(OH)}_{\mathrm{n}}$$ C 60 (OH) n , n = 0, 2, 4, 8 and 12] in aqueous media

Keshri

Tembe

2017

J Chem Sci

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The thermodynamics of association of fullerene [C 60 ] and water-soluble fullerene derivatives, i.e., fullerols [C 60 (OH) n , where, n = 2, 4, 8, 12] in aqueous solutions have been studied using molecular dynamics simulations. The potentials of mean force (PMFs) bring out the tendency of aggregation of these nanostructures in water. The extent of hydroxylation seems to have a minor effect on the depth of the contact minima (the first minimum in the PMFs). The positions of the subsequent minima and maxima in the PMFs change with the size of the solute molecules. Higher stability of the contact state of highly hydroxylated fullerols is due to the van der Waals interactions whereas intermolecular solute-solvent hydrogen bonding nearly flattens the PMFs beyond the 2nd minima for higher fullerols. The solvent contributions to the PMFs for all the solute particles studied here are positive. Entropic and enthalpic contributions to the association of solute molecules are calculated in the isothermal-isobaric (NPT) ensemble. We find that the contact pair formation is governed by entropy with the enthalpic contributions being highly unfavorable, whereas the solvent assisted and solvent separated configurations show entropy-enthalpy compensation.

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Electron Donor-Acceptor Interactions of C₆₀with n-andπ-Donors: A Rational Approach Towards its Solubility

Cited by 30 publications

References 16 publications

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

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

Decontamination of Surfaces Exposed to Carbon‐Based Nanotubes and Nanomaterials

Thermodynamics of association of water soluble fullerene derivatives [ $$\hbox {C}_{60}\hbox {(OH)}_{\mathrm{n}}$$ C 60 (OH) n , n = 0, 2, 4, 8 and 12] in aqueous media

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Electron Donor-Acceptor Interactions of C60with n-andπ-Donors: A Rational Approach Towards its Solubility

Cited by 30 publications

References 16 publications

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

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

Decontamination of Surfaces Exposed to Carbon‐Based Nanotubes and Nanomaterials

Thermodynamics of association of water soluble fullerene derivatives [ $$\hbox {C}_{60}\hbox {(OH)}_{\mathrm{n}}$$ C 60 (OH) n , n = 0, 2, 4, 8 and 12] in aqueous media

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Electron Donor-Acceptor Interactions of C₆₀with n-andπ-Donors: A Rational Approach Towards its Solubility