• Bulletin of the Korean Chemical Society
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• v.13 no.6
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• pp.684-688
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• 1992

Three photocyclodimers of 5,7-dimethoxycoumarin (DMC) were isolated and characterized from the photolysis of DMC in acetonitrile. The configuration of the dimers was found to be anti head-to-head, syn head-to-head and syn head-to-tail, respectively. The number and the ratio of the products are solvent dependent. The anti head-to-head dimer is favored in nonpolar solvents and the preference decreases as the solvent polarity increases giving almost 100${\%}$ syn dimers and less than 1${\%}$ anti dimer from methanol solution. The overall yields of dimers also increase with the solvent polarity. From sensitization and quenching experiments, anti dimer was found to be formed via excited singlet state while syn dimers were formed via both excited singlet and triplet states.

• Journal of the Korean Chemical Society
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• v.37 no.12
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• pp.1025-1034
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• 1993

We have measured ${\pi}^*$, $\alpha$ and $\beta$ polarity parameters of 2-propanol / hexane and ethyl acetate / hexane mixed solvents over the entire range of composition. For the ethyl acetate / hexane system, only ${\pi}^*$ and $\beta$ were measured since $\alpha$ of these mixed solvents are defined zero. We have corrected the measured polarity parameters to obtain consistent data with the existing literature data assuming a good linear correlation between the measured and the true values. The variation patterns are consistent with the expected trends based on the chemistry of the solvent components. The general trends of the two solvent systems are summarized as follows. ${\pi}^*$ merely increases as the content of the more polar solvent increases while $\alpha$ and $\beta$ increase with the increase of the content of the more polar solvent, then decrease upon continuing addition of the more polar solvent.

• Applied Chemistry for Engineering
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• v.20 no.6
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• pp.685-691
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• 2009

Dispersions of fumed silica are made in 6 kinds of mono-solvents and mixed solvents which have hydroxyl group, non hydroxyl group, different polarity, and different molecular size. The viscosity and rheology behaviors of the each dispersion are investigated according to the viewpoint of solvent characteristic. The silica dispersion in polar solvent with hydroxyl group is stable and low viscous sol. The silica dispersion in non-polar solvent with non-hydroxyl group is high viscous gel. When the solvent with hydroxyl group is added to the silica dispersions with non-polar solvents, they show the reduction of viscosity with solvent content. They have minimum critical content which shows no viscosity change. The minimum critical solvent content is decreased according to the polarity of solvents with no hydroxyl group. The solvation layer which is formed on the silica surface through hydrogen bonding between hydroxyl-containing solvent and the silanol group of silica surface is the reason of stable and low viscous sol. In case of non-polar solvent, silanol on adjacent silica particles interacted directly by hydrogen bonding show high viscous and flocculated gel.

• Bulletin of the Korean Chemical Society
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• v.29 no.2
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• pp.431-437
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• 2008

The solvent effects on the relative free energies of binding of K+ and Na+ ions to 12-crown-4 and Dlog Ks (the difference of stability constant of binding) have been investigated by a Monte Carlo simulation of statistical perturbation theory (SPT) in several solvents. Comparing the relative free energies of binding of K+ and Na+ ions to 12-crown-4, in CH3OH of this study with experimental works, there is a good agreement among the studies. We have reported here the quantitative solvent-polarity relationships (QSPR) studied on the solvent effects the relative free energies of binding of K+ and Na+ ions to 12-crown-4. We noted that DN(donor number) dominates the differences in relative solvation Gibbs free energies of K+ and Na+ ions and DN dominates the negative values in differences in the stability constant (Dlog Ks) as well as the relative free energies of binding of K+ and Na+ ions to 12-crown-4 and p* (Kamlet-Tafts solvatochromic parameters) dominates the positive values in differences in the stability constant (Dlog Ks) as well as the relative free energies of binding of K+ and Na+ ions to 12-crown-4.

• Bulletin of the Korean Chemical Society
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• v.29 no.6
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• pp.1149-1156
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• 2008

The conformational study on neutral and zwitterionic L-alanines (N-Ala and Z-Ala, respectively) and the transition state (TS) for their interconversion is carried out using ab initio HF and density functional B3LYP methods with the self-consistent reaction field method in the gas phase and in solution. At both the HF and B3LYP levels of theory, the local minimum N1 for N-Ala is found to be most preferred in the gas phase and a weak asymmetric bifurcated hydrogen bond between the amino hydrogens and the carbonyl oxygen appears to play a role in stabilizing this conformation. The local minima N2a and N2b are found to be the second preferred conformations, which seem to be stabilized by a hydrogen bond between the amino nitrogen and the carboxylic hydrogen. The relative stability of the local minimum N2b is remarkably increased in solution than that in the gas phase. The local minimum N2b becomes more stable than the local minimum N2a in most of the solution. On the whole the relative free energies of Z-Ala and TS become more lowered, as the solvent polarity increases. N-Ala prevails over Z-Ala in aprotic solutions but Z-Ala is dominantly populated in ethanol and water. In aprotic solutions, the population of Z-Ala increases somewhat with the increase of solvent polarity. The barrier to Z-Ala-to-N-Ala interconversion increases on the whole with the increase of solvent polarity, which is caused by the increase of stability for Z-Ala.

• Bulletin of the Korean Chemical Society
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• v.19 no.5
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• pp.561-564
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• 1998

Solvent effects on the reactions of DANSYL and BANSYL chlorides with substituted pyridines have been investigated using two parameters of Taft's solvatochromic correlation and four parameters of Kirkwood-Onsager, Parker, Marcus, Hildebrand equation. The acetonitrile molecules accelerate charge separation of the reactants and stabilize the transition state. The coefficient of the solvent parameters provide a good information to predict and to analyze the reaction mechanism. The nucleophilic substitution reaction of DANSYL and BANSYL chlorides with substituted pyridines are ruled by the contribution of the change in dipole moment term and polarity-polarizability term.

• Journal of Korean Society of Occupational and Environmental Hygiene
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• v.7 no.1
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• pp.3-18
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• 1997

This study was conducted to evaluate desorption efficiencies by types of desorption solvent for polar and non-polar organic compounds collected on activated charcoal tubes. Analytes tested were toluene, m-xylene, isobutyl alcohol, n-butyl alcohol, cellosolve acetate, and butyl cellosolve. Three different concentration levels of spiked sample were made. Types of cosolvent mixed with the main solvent, $CS_2$, were methanol, pentanol, and dimethylformamide (DMF) and the cosolvent for methylenechloride was methanol. The amounts of cosolvent added to the main solvent were 1, 5, and 10% by volume (v/v%), respectively. The results were as follows: 1. For all mixed solvents except 1% methanol and 1% pentanol with $CS_2$, desorption efficiency significantly increased, compared with that of $CS_2$ alone. 2. Desorption efficiency increased by increasing analyte loading on charcoal tube regardless of mixed solvents used and the material polarity. 3. For all cosolvents mixed with $CS_2$ by 1% and 5% volume, desorption efficiency for non-polar compound was significantly higher than that of polar compound. For the 10% mixed solvents and the methylenechloride mixed with methanol, the results were opposite. 4. The lowest mean percent bias of 4.79% was obtained from the 5% DMF-$CS_2$ mixed solvent, followed by 4.82% from the 10% DMF-$CS_2$ solvent while the highest bias of 23.26% was from the solvent of $CS_2$ alone. Based on the results of this study, in order to increase desorption efficiency, it is recommended to add such cosolvents as methanol, pentanol, and DMF to $CS_2$, preferably 5% by volume for analyzing polar compounds collected in charcoal tubes.

• Journal of the Korean Chemical Society
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• v.11 no.4
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• pp.126-131
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• 1967

Various amines (Triethylamine, Diethylamine, Dimethylaniline, Pyridine and Diphenylamine) and electron acceptors (Carbontetrachloride, iodine monochloride and iodine) were reacted in the hexane solvent system to form a charge transfer complex in each case. The tendency of forming a charge transfer complex by these electron acceptors was proportional to the basicity of amines and the different type of complex was formed as the polarity of electron donor had markedly changed, which were identified by ultraviolet spectrophotometry. A correlation between the formation of complex and the basicity of amine and the polarity of electron acceptor was discussed.

• Proceedings of the Polymer Society of Korea Conference
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• 2006.10a
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• pp.249-249
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• 2006

We have prepared an amphiphilic wedge-coil molecule consisting of a hydrophobic wedge-like segment and a hydrophilic poly(ethylene oxide) (PEO) segment. The wedge-coil block molecule self-assembles into cylindrical nanofibers in both polar as well as nonpolar solvents. Remarkably, the resulting nanofibers, as solvent polarity change from water to n-hexane, change from highly flexible coil-like to stiff rod-like characteristics. This dynamic switching in the stiffness of the nanofibers in response to solvent polarity is attributed to the structural inversion of cylindrical core from bulky dendritic segments with amorphous nature to crystallizable linear PEO segments.

• Bulletin of the Korean Chemical Society
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• v.16 no.7
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• pp.574-577
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• 1995

Solvatochromic effect and hydrogen bonding interaction of NPNOH, NPNO- and NPNOR were investigated. Electronic transition energies of the dyes were plotted against empirical solvent polarity parameters, Taft's π* and Reichardt's ET(30). Good correlations were observed when the excitation energies were plotted against the energy calculated by multiple linear regression method which was developed by Taft. There is an intrinsic difference between betaine for ET(30) polarity scale and the azoderivative, which is derived from the specific hydrogen bond incurred with probe molecules and solvents. The hydrogen bonding plays a very important role for stabilization of an excited state molecule by solvents especially when a solute possesses a negative charge as with NPNO-.