Solubility Characteristics of PCBM and C60
| Autor: | Jason S. Howell, David S. Boucher |
|---|---|
| Rok vydání: | 2016 |
| Předmět: |
Empirical data
Chemistry Thermodynamics 02 engineering and technology 010402 general chemistry 021001 nanoscience & nanotechnology 01 natural sciences 0104 chemical sciences Surfaces Coatings and Films Hildebrand solubility parameter Materials Chemistry Molecule Polar Organic chemistry Physical and Theoretical Chemistry Solubility 0210 nano-technology |
| Zdroj: | The Journal of Physical Chemistry B. 120:11556-11566 |
| ISSN: | 1520-5207 1520-6106 |
| DOI: | 10.1021/acs.jpcb.6b09273 |
| Popis: | Empirical data indicate that several good solvents for C60 and [6,6]-phenyl-C61-butyric acid methyl ester (PCBM) have substantial polar and hydrogen-bonding components, which are not intrinsic to the structure of the C60 and PCBM molecules themselves. Functional solubility parameter (FSP) and convex solubility parameter (CSP) computations are performed on C60 and PCBM using solubility data available in the literature. The CSP and FSP results are compared to previously reported Hansen solubility parameters (HSPs) and to the parameters calculated using additive functional group contribution methods. The CSP and FSP methods confirm the anomalously large polar and hydrogen-bonding parameters, δP and δH, obtained experimentally for C60 and PCBM. This behavior, which is quite irregular given the structure of the molecules, is due to the fact that several good solvents have high δP and δH values. Thus, these irregularities are highlighted by the CSP and FSP calculations. Additional contradictory solubility chara... |
| Databáze: | OpenAIRE |
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