• Journal of the Korean Chemical Society
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• v.28 no.4
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• pp.210-216
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• 1984

Solvatochromic comparison methods were applied to determine Taft's solvent parameters, ${\pi}^{\ast}$(solvent polarity-polarizability), ${\alpha}$(solvent hydrogen bond donor acidity) and ${\beta}$ (solvent hydrogen bond acceptor basicity) for MeOH-MeCN solvent mixtures. Swain's solvent parameters A(anion solvation scale) and B(cation solvation scale) were also determined by least square fitting of kinetic data in the same binary solvent mixtures. It was found that: (i)${\beta}$ depends on the basicity of the solvent and increases with the MeOH content owing to the increase in polymeric structure of methanol; (ii) ${\pi}^{\ast}$depends on the dipole moment of the solvent and increases with the MeCN content of the solvent; (iii) ${\alpha}$ increases rapidly with the MeOH content as the hydrogen bond donor acidity of the solvent mixtures increases. Taft's reaction constants a and s and Swain's reaction constants a and b were determined for the reactions reported from our laboratory previously using solvent parameters determined in this work. No meaningful inter-relationship was found between the two set of reaction parameters, but a good linear correlation was found between the ratios a/s and a/b. Solvent effect on the reaction mechanism, substituent effect and leaving group ability were examined in the light of these reaction constants ratios.

• Bulletin of the Korean Chemical Society
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• v.26 no.2
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• pp.238-240
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• 2005

The enthalpies of transfer, ${\Delta}H_t{\Theta}$, of NaI from water to aqueous methanol, ethanol and isopropanol, iPrOH, systems are reported. These data have been analysed in terms of the new solvation theory. These data are considered in terms of the new developed solvation theory including variable ($\alpha$n + $\beta$N), the net effect of the solute on the solvent-solvent bonding, is positive if there is a net breaking or weakening of solvent-solvent bonds. The solvation parameters recovered from the analyses indicate that the net affect of NaI on solvent structure is a breaking of solvent-solvent bonds and that NaI is preferentially solvated by water in all aqueous alcohol systems considered. ($\alpha$n + $\beta$N) values increase with increasing in the size of the alcohol alkyl residue from methanol to iPrOH.

• Bulletin of the Korean Chemical Society
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• v.5 no.4
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• pp.162-167
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• 1984

Equilibrium and dynamical behaviors of an n-alkane poymer (decane) in solution have been investigated by a molecuar dynamics simulation method. The polymer is assumed to be a chain of elements $(CH_2)$ interconnected by bonds having a fixed bond length and bond angle, but esch bond of the polymer is allowed to execute hindered internal rotation. The calculation explicitly considers the molecular naturer of solvent by including the intermolecular interactions between slovent-solvent molecules and chain element-solvent molecule. We present the results of calculations on (1) equilibrium properties (the solvent molecule-chain element pair correlation function, chain element-chain element pair correlation function, the mean square end-to-end distance and the mean square radius of gyration of the polymer) and (2) dynamic properties (four different autocorrelation functions, namely, the autocorrelation functions for the end-to-end distance and the radius of gyration, and the velocity autocorrelation functions for the center of mass and the end point of the chain). We found that the physical properties of the polymer chain depends sensitively on temperature. Comparison of the present work with other authors' results is also presented.

• Bulletin of the Korean Chemical Society
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• v.33 no.7
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• pp.2439-2442
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• 2012

In order to explore the effects of the solvent on the formation rate of polyynes, we investigated the absorption spectra of polyynes obtained by laser ablation of a graphite target in different solvents at 1064 nm. Polyynes so produced were confirmed by the Raman band around $2200cm^{-1}$ which corresponds to the carbon triple bonds. The production of polyynes by laser ablation turned out to be significantly affected by the ratio of the hydrogen and carbon atoms in the solvent molecule. No clear correlations were observed in the formation of polyynes for other properties of the solvent such bond dissociation energy, thermal conductivity, and total mass of hydrogen atoms per volume of solvent.

• Journal of the Korean Chemical Society
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• v.22 no.1
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• pp.7-11
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• 1978

The reactions of 2,4-dinitroiodobenzene with para subtituted anilines in acetonitrile-methanol binary solvent mixtures have been studied. Rate constants for reactions in methanol rich solvents are greater than for reactions in acetonitrile rich solvents. Kinetic results show that the bond formation step is rate determining in the solvent system studied. The solvent effect can be explained by stabilization of the transition state by formation of hydrogen bond between oxygen atom of methanol and hydrogen atom of aniline.

• Journal of the Korean Chemical Society
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• v.63 no.4
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• pp.233-236
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• 2019

In this study, the solvolysis of cyclohexanesulfonyl chloride (1) was studied by kinetics in ethanol-water, methanol-water, acetone-water, and 2,2,2-trifluoroethanol (TFE)-water binary solvent systems. The rate constants were applied to the extended Grunwald-Winstein equation, to obtain the values of m = 0.41 and l = 0.81. These values suggested $S_N2$ mechanism in which bond formation is more important than bond breaking in the transition state (TS). Relatively small activation enthalpy values (11.6 to $14.8kcal{\cdot}mol^{-1}$), the large negative activation entropy values (-29.7 to $-38.7cal{\cdot}mol^{-1}{\cdot}K^{-1}$) and the solvent kinetic isotope effects (SKIE, 2.29, 2.30), the solvolyses of the cyclohexanesulfonyl chloride (1) proceeds via the $S_N2$ mechanism.

• Journal of Korean Society of Occupational and Environmental Hygiene
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• v.1 no.2
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• pp.200-213
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• 1991

ln order to acquire the fundamental data for the organic solvents in bond and to contribute the health improvement of workers in deprtment of organic solvents in shoes manufacturing industries. The authors surveyed the contents of organic solvent in adhesive and determined the amount of volatilization of organic solvent by time and temperature with gaschromatography from March to September 1990. The results were as follows; 1) The kinds for organic solvents in bond were 9 that was Toluene, C-Hexane, N-Hexane, C-Hexanon, Aceton, Methyl Ethyl Keton, Dimethyl Formamide, Etyly Acetate. 2) Toluene and Methyl Ethyl Keton among the organic solvents in adhesive were over 80.18%. 3) The amount of volatilization of Methyl Cyclohexanone and Aceton by time and temperature were the most level than other compounds.

• Bulletin of the Korean Chemical Society
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• v.31 no.9
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• pp.2717-2720
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• 2010

• Journal of Photoscience
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• v.6 no.4
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• pp.171-176
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• 1999

The spectral and photophysical properties of trans-1-pyrazinyl-2-(3-quinolinyl)ethylene (trans-3- PyQE) are investigated under various conditions in order to obtain information on ground and excited states. The absorption spectrum of trans-3-PyQE changes slightly with varying degree of solvent polarity ; the. fluorescence spectrum is shifted to the red and becomes broad and structureless as the solvent polarity increases. The fluorescence quantum yield increases with increasing solvent polarity. The fluorescence intensity of trans-3-PyQE decreases as the concentration of methyl iodide increases. The fluorescence spectra of trans-3-PyQE changes markedly upon the variation of the excitation wavelength, presumably due to an equilibrium between conformers originating from the rotation of a quasi-single bond between the quinolinyl group and ethylenic carbon atom. These results indicate that the spectral and photophysical properties of trans-3-PyQE are strongly influenced by solvent, heavy atom, and an equilibrium between conformers

• Rapid Communication in Photoscience
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• v.4 no.3
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• pp.67-69
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• 2015

FTIR spectroscopy has been employed to investigate the variation of anion-water hydrogen bonding in 1-butyl 3-methyl imidazolium tetrafluoroborate ([Bmim][$BF_4$]) ionic liquid caused by addition of organic co-solvents with various polarities. The variation was estimated by probing band shape and intensity of the OH stretching vibration of trace water present in ionic liquid at $3400-3800cm^{-1}$. The presence of polar aprotic co-solvent in ionic liquid dramatically reduces the absorptivity of the OH stretch band, indicating that the co-solvent changes the nature of anion-water hydrogen bond drastically, which might be responsible for the reduction of the viscosity of ionic liquid in the presence of the co-solvent.