Solvent effects on the ultraviolet spectra of benzene derivatives and naphthalene. Identification of polarity sensitive spectral characteristics

Cardinal, John R.; Mukerjee, Pasupati

doi:10.1021/j100503a009

Cited by 99 publications

(51 citation statements)

References 8 publications

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“…The interaction between the solutes and the micelles in the surfactant solutions can also be observed independently via the change in the UV-vis spectra of the solutes in aqueous SDS. Variations in the absorption maxima as well as in the vibrational fine structure of UV spectra have been observed upon solubilization in different solvents (53). These variations indicate a change in the environment around the solute.…”

Section: Solvent Effect On the Uv Spectra Of Phenol Toluene And Benmentioning

confidence: 98%

Diffusion Coefficients of Three Organic Solutes in Aqueous Sodium Dodecyl Sulfate Solutions

Yang

Matthews

2000

Journal of Colloid and Interface Science

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Section: Solvent Effect On the Uv Spectra Of Phenol Toluene And Benmentioning

confidence: 98%

Diffusion Coefficients of Three Organic Solutes in Aqueous Sodium Dodecyl Sulfate Solutions

Yang

Matthews

2000

Journal of Colloid and Interface Science

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“…The immediate reduction in yield is quite possibly due to the rapid decay of e, which occurs to some extent during the laser pulse. However, scavenging of dry electrons by NO; has been observed previously in polar systems [37]. Table 3 The effect of various electron scavengers on the yield and decay of e& produced by pulse radiolysis and laser photolysis in 6% H20/3% In the radiolysis experiments the electrons are produced via ionization of heptane [l 13, the electron exists as a solvated electron in the alkane and may be captured by suitable polar traps consisting of clusters of alcohol molecules [29].…”

Section: Photoionization and Electron Capture By H 2 0 Bubblementioning

confidence: 99%

Fast Reactions in Micelles

Thomas

Grieser

Wong

1978

Ber Bunsenges Phys Chem

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Appurule utid Methoden Mizellen 1 Oherflachenerscheinunyen Reaktionskinetik J StrahlenchemieVarious kinetic processes in micellar systems are discussed and related together. The time domain of these events vary from seconds for thermal reactions to < 10-l4 sec for photoionization processes. The kinetic processes described and discussed are: The discussion illustrates many of the interesting features of micelles whereby radiation induced reactions may be catalyzed or the reaction pathway directed. -A brief description of similar events in reversed micelles concludes the discussion. In these systems particular attention is drawn to the unique features of the water bubbles and their ability to efficiently capture !lectrons from the bulk alkane phase.

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“…[17][18][19] The binding site of the solubilized molecule has also been obtained using ultraviolet absorption spectroscopy 15,[20][21][22] and x-ray diffraction. 23,24 Hydrophobic molecules such as alkanes are found in the center of micelles, whereas amphiphilic molecules such as alcohols are solubilized in the palisade layer of the micelle.…”

Section: Introductionmentioning

confidence: 99%

Free energy profiles for penetration of methane and water molecules into spherical sodium dodecyl sulfate micelles obtained using the thermodynamic integration method combined with molecular dynamics calculations

Fujimoto

Yoshii

Okazaki

2012

The Journal of Chemical Physics

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Free energy profiles for penetration of methane and water molecules into spherical sodium dodecyl sulfate micelles obtained using the thermodynamic integration method combined with molecular dynamics calculations K. Fujimoto Science, Nagoya University, Japan (Received 14 October 2011; accepted 5 December 2011; published online 6 January 2012) The free energy profiles, G(r), for penetration of methane and water molecules into sodium dodecyl sulfate (SDS) micelles have been calculated as a function of distance r from the SDS micelle to the methane and water molecules, using the thermodynamic integration method combined with molecular dynamics calculations. The calculations showed that methane is about 6-12 kJ mol −1 more stable in the SDS micelle than in the water phase, and no G(r) barrier is observed in the vicinity of the sulfate ions of the SDS micelle, implying that methane is easily drawn into the SDS micelle. Based on analysis of the contributions from hydrophobic groups, sulfate ions, sodium ions, and solvent water to G(r), it is clear that methane in the SDS micelle is about 25 kJ mol −1 more stable than it is in the water phase because of the contribution from the solvent water itself. This can be understood by the hydrophobic effect. In contrast, methane is destabilized by 5-15 kJ mol −1 by the contribution from the hydrophobic groups of the SDS micelle because of the repulsive interactions between the methane and the crowded hydrophobic groups of the SDS. The large stabilizing effect of the solvent water is higher than the repulsion by the hydrophobic groups, driving methane to become solubilized into the SDS micelle. A good correlation was found between the distribution of cavities and the distribution of methane molecules in the micelle. The methane may move about in the SDS micelle by diffusing between cavities. In contrast, with respect to the water, G(r) has a large positive value of 24-35 kJ mol −1 , so water is not stabilized in the micelle. Analysis showed that the contributions change in complex ways as a function of r and cancel each other out. Reference calculations of the mean forces on a penetrating water molecule into a dodecane droplet clearly showed the same free energy behavior. The common feature is that water is less stable in the hydrophobic core than in the water phase because of the energetic disadvantage of breaking hydrogen bonds formed in the water phase. The difference between the behaviors of the SDS micelles and the dodecane droplets is found just at the interface; this is caused by the strong surface dipole moment formed by sulfate ions and sodium ions in the SDS micelles.

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Solvent effects on the ultraviolet spectra of benzene derivatives and naphthalene. Identification of polarity sensitive spectral characteristics

Abstract: Tokiwa and K. Nagase for their encouragements and permission to publish this paper. They also thank Messrs. Y. Teramoto and T. Saito of Daini Seikosha for their help in DSC measurements.

Cited by 99 publications

References 8 publications

Diffusion Coefficients of Three Organic Solutes in Aqueous Sodium Dodecyl Sulfate Solutions

Diffusion Coefficients of Three Organic Solutes in Aqueous Sodium Dodecyl Sulfate Solutions

Fast Reactions in Micelles

Free energy profiles for penetration of methane and water molecules into spherical sodium dodecyl sulfate micelles obtained using the thermodynamic integration method combined with molecular dynamics calculations

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