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Probing solvent-solvent and solute-solvent interactions in surfactant binary mixtures: Solvatochromic parameters, preferential solvation, and quantum theory of atoms in molecules analysis

Kohantorabi, M ; Sharif University of Technology

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  1. Type of Document: Article
  2. DOI: 10.1039/c5ra23942g
  3. Publisher: Royal Society of Chemistry
  4. Abstract:
  5. The behaviour of solvatochromic absorbance probes (4-nitroaniline, 4-nitroanisole, and Reichardt's dye) within binary mixtures of polyethylene glycol p-(1,1,3,3-tetramethylbutyl)-phenyl ether (Triton X-100 or TX-100)/organic solvents (2-propanol, hexanol, butyl acetate, THF, toluene, and p-xylene) was extensively explored by using solvatochromism and the quantum theory of atoms in molecules (QTAIM). To be more precise, the polarity parameters, ET N, and Kamlet-Taft parameters, such as the hydrogen bond donor ability (HBD) (α), hydrogen bond acceptor ability (HBA) (β), and dipolarity/polarizability (π∗), have been investigated in selected mixtures at 298 K. All binary mixtures exhibit complex behavior for chosen probes. The results indicate that 4-nitroanisole and Reichardt's dye have stronger interactions with binary mixtures of alcohols/TX-100. The interaction energies decreased in the following order: butyl acetate > hexanol ∼ 2-propanol > THF > p-xylene ∼ toluene. The preferential solvation model was applied to provide insight into the nature of solute-solvent and solvent-solvent interactions in these binary mixtures. Specific solute-solvent and solvent-solvent interactions are believed to be responsible for deviation from ideality
  6. Keywords:
  7. Alcohols ; Bins ; Hydrogen bonds ; Mixtures ; Molecules ; Organic solvents ; Probes ; Quantum theory ; Solvation ; Solvents ; Toluene ; Xylene ; Hydrogen bond acceptors ; Interaction energies ; Kamlet-Taft parameters ; Preferential solvation ; Quantum Theory of Atoms in Molecules ; Solute-solvent interaction ; Solvatochromic parameters ; Solvent-solvent interactions ; Binary mixtures
  8. Source: RSC Advances ; Volume 6, Issue 22 , 2016 , Pages 18515-18524 ; 20462069 (ISSN)
  9. URL: http://pubs.rsc.org/en/content/articlelanding/2016/ra/c5ra23942g#!divAbstract