• Bulletin of the Korean Chemical Society
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• v.31 no.6
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• pp.1535-1542
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• 2010

Spectrophotometric micro determination of allopurinol (ALP) via charge-transfer formation is described. This includes the utility of some $\pi$-acceptors such as 2,3-dichloro-5,6-dicyano-p-benzoquinone (DDQ) and 3,6-dichloro-2,5-dihydroxy-p-benzoquinone (p-CLA) for estimation of ALP drug (act as $\grave{e}$-donor). These reactions are applied for determination of ALP in its pharmaceutical preparations coming from different companies. Elucidation of the chemical structure of the solid CT complexes formed via reaction between drugs under study and $\pi$-acceptors, using elemental analyses (C, H, N), I. R., $^1H$ NMR and mass spectrometry.

• Journal of the Korean Chemical Society
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• v.26 no.5
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• pp.274-281
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• 1982

Ultraviolet spectrophotometric investigation have been carried out on the systems of pentamethylbenzene and hexamethylbenzene with iodine and iodine monochloride in carbon tetrachloride. The results reveal the formation of the one to one molecular complexes. The equilibrium constants were obtained in consideration of that absorption maxima due to the formation of the charge transfer complexes shift to blue with the increasing temperature. Thermodynamic parameters for the formation of the charge transfer complexes were calculated from these values. These results indicate that the complex formed between polymethylbenzene and iodine monochloride is more stable than that in the case of iodine. This may be a measure of their relative acidities toward polymethylbenzene, which is explained in terms of the relative electronegativities of halogen atoms. These results combined with previous studies of this series indicated that ${\lambda}_{max}$ shift to red with the increasing number of methyl groups on benezene ring and that the relative stabilities of these complexes increase in the order, Benzene < Toluene < Xylene < Durene < Mesitylene < Pentamethylbenzene < Hexamethylbenzene. The reason for the order found is thus additionally discussed.

• Journal of the Korean Chemical Society
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• v.29 no.6
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• pp.575-581
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• 1985

Ultraviolet spectrophotometric investigations have been carried out on the systems of benzene, naphthalene and phenanthrene with iodine in carbon tetrachloride. The results reveal the formation of the one to one molecular complexes. The equilibrium constants were obtained in consideration of that absorption maxima due to the formation of the charge transfer complexes shift to blue with increasing temperature. Thermodynamic parameters for the formation of the charge transfer complexes were calculated from these values. These results indicate that the stabilities of the complexes formed between polynuclear aromatics and iodine increase with the number of aromatic rings. This may be a measure of the relative basicities of polynuclear aromatics toward iodine, which is explained in terms of the resonance of the interaction between aromatics and iodine. The results in this study were, additionally, compared with those of the polymethylbenzene series to be discussed the reason for them.

• Bulletin of the Korean Chemical Society
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• v.25 no.1
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• pp.85-89
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• 2004

Geometrical structures of [Pd(L)$Cl_2$] with oxathia macrocycles have been calculated using ab initio secondorder Moller-Plesset (MP2) and Density Functional Theory (DFT) methods with triple zeta plus polarization (TZP) basis set level. In optimized Pd(L)$Cl_2$ complexes, Pd(II) locates at the center surrounded by a square planar array of two sulfurs on an oxathia macrocycle and two chlorides. The endo-Pd(II) complexes with an axial (Pd${\cdots}$O) interaction are more stable than the exo-Pd(II) complexes without the interaction. In the endo-Pd(II) complexes, the atomic charge of the oxygen atom moves to Pd(II) via the axial ($Pd{\cdots}$O) interaction and then, the charge transfer from Pd(II) to the S-atoms occurs stepwise via ${\pi}$-acceptors of the empty d-orbitals.

• Proceedings of the Korean Society of Potoscience Conference
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• spring
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• pp.32-32
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• 1996

• Applied Biological Chemistry
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• v.17 no.2
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• pp.143-148
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• 1974

The interaction of the carcinogenic mycotoxin, Aflatoxin $B_1$, with the electron-donating molecule, benzene, was studied spectrophotometrically. The formation of charge-transfer complex between Aflatoxin $B_1$ and benzene in the presence of zinc chloride was observed and the apparent equilibrium constant of this charge-transfer complex was found to be 0.198 (liter $mole^{-1}$). It is assumed that, as the result of this study, some charge-transfer complexes could be formed between the weak electron-accepting Aflatoxin $B_1$ and strong electron-donating molecules, and the spectral changes occurred in the binding of Aflatoxin $B_1$ with proteins or DNA is attributed to the existence of charge-transfer type interaction.

• Journal of the Korean Chemical Society
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• v.25 no.6
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• pp.351-360
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• 1981

Ultraviolet spectrophotometric investigations have been carried out on the system of durene with iodine, bromine, iodine monochloride and iodine monobromide in carbon tetrachloride. The results reveal the formation of the charge transfer complexes of the type, $C_6H_2(CH_3)_4{\cdot}X_2$ or $C_6H_2(CH_3)_4{\cdot}IX$(X denotes halogen atoms). The equilibrium constant were obtained in consideration of that absorption maxima due to the formation of the charge transfer complexes shift to blue with the increasing temperatures. The thermodynamic parameters, ${\Delta}H,\;{\Delta}G\;and\;{\Delta}S$ for the formation of the charge transfer complexes were calculated from these values. These results indicate that the relative stabilities of the durene complexes at each temperature decrease in the order, $ICl>IBr>I_2>Br_2$. This order may be a measure of their relative acidities toward durene, which is explained in terms of the relative polarizabilities of halogen molecules and the relative electronegativities of halogen atoms. These results combined with previous study of this series indicated that the relative stabilities of the polymethylbenzene complexes with iodine increase in the order; Benzene

• Journal of the Korean Chemical Society
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• v.25 no.2
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• pp.75-84
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• 1981

Ultraviolet spectrophotometric investigations have been carried out on the systems of mesitylene with iodine, bromine, iodine monochloride and iodine monobromide in carbon tetrachloride. The results reveal the formation of the charge transfer complexes of the type, $C_6H_3(CH_3)_3{\cdot}X_2$ or $C_6H_3(CH_3)_3{\cdot}IX$ (X denotes halogen atoms). The equilibrium constants were obtained in consideration of that absorption maxima due to the formation of the charge transfer complexes shift to blue with the increasing temperatures. Thermodynamic parameters, ${\Delta}H$, ${\Delta}G$ and ${\Delta}S$ for the formation of the charge transfer complexes were calculated from these values. These results indicate that the relative stabilities of the mesitylene complexes at each temperature decrease in the order, ICl > IBr > $I_2$ > $Br_2$. This order may be a measure of their relative acidities toward mesitylene, which is explaned in terms of the relative polarizabilities of halogen molecules and the relative electronegativities of halogen atoms. These results combined with previous study of this series indicated that the relative stabilities of the polymethylbenzene complexes with iodine increase in the order Benzene < Toluene < Xylene < Mesitylene Thus, analysis of these findings is discussed.

• Bulletin of the Korean Chemical Society
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• v.29 no.10
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• pp.1898-1904
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• 2008

Study of computational model of the concerted Diels-Alder reaction between 9,10-dimethyl anthracene (as donor) and tetracyanoethylene (as acceptor) in absence and in presence of aromatic solvents (benzene, mesitylene and hexamethylbenzene, as donors) using an AM1 semi-empirical method. AM1 method used to study the neutral charge transfer complex models that could be expected between donor and acceptor during the course of the concerted Diels-Alder reaction. Calculated enthalpies of reaction of the charge transfer complexes models showed physical and chemical meaning for explain the effect of aromatic solvents on the kinetic process of concerted Diels-Alder reaction that contains tetracyanoethylene.

• Bulletin of the Korean Chemical Society
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• v.6 no.4
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• pp.186-191
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• 1985

The effect of pressure and temperature on the stabilities of the charge transfer complexes of hexamethyl benzene with iodine in n-hexane has been investigated by UV-spectrophotometric measurements. In this experiment the absorption spectra of mixed solutions of hexamethyl benzene and iodine in n-hexane were measured at 25, 40 and $60^{\circ}C$ under 1,200, 600, 1200 and 1600 bar. The equilibrium constant of the complex formation was increased with pressure while being decreased with temperature raising. Changes of volume, enthalpy, free energy and entropy for the formation of the complexes were obtained from the equilibrium constants. The red shift at higher pressure, the blue shift at higher temperature and the relation between pressure and oscillator strength were discussed by means of thermodynamic functions. In comparison with the results in the previous studies, it can be seen that the pressure dependence of oscillator strength has a extremum behavior in durene as the variation of ${\Delta}H$ or ${\Delta}S$ with the number of methyl groups of polymethyl benzene near atmospheric pressure in the previous study. The shift or deformation of the potential in the ground state and in the excited state of the complexes formed between polymethyl benzene and iodine was considered from the correlation between the differences of the electron transfer energies and the differences of free energies of the complex formation for the pressure variation.