• Journal of the Korean Chemical Society
• /
• 제48권5호
• /
• pp.537-541
• /
• 2004

• Bulletin of the Korean Chemical Society
• /
• 제4권3호
• /
• pp.103-114
• /
• 1983

The NMR shift arising from the electron angular momentum and the electron spin dipolar-nuclear spin angular momentum interaction has been examined for a $3d_1$ system in a strong octahedral crystal field when the threefold axis is chosen as the quantization axis. To investigate the NMR shift in this situation, first, we have extended the evaluation of the hyperfine integrals to any pairs of 3d orbitals adopting a general method which is applicable to a general vector R, pointing in arbitrary direction in space. Secondly, a general expression using a nonmultipole technique is derived for the NMR shift resulting from the electron angular momentum and the electron spin dipolar-nuclear spin angular momentum interactions. From this expression all the multipolar terms are determined. ${\Delta}B/B$ for the $3d_1$ system in this case is compared with that for the 3d1 system when the z axis is chosen as the quantization axis. When we choose the threefold axis as the quantization axis, it is found that along the , and axes, ${\Delta}B/B$ values are significantly different from each other and along the , <-1-1-1>, <-11-1>, , <-1-11>, , and <-111> axes, ${\Delta}B/B$ values are however the same. We also find that the 1/R7 term contributes dominantly to the NMR shift for all values of R. When 1/$R^5$ term is included, there is good agreement between the exact solution and the multipolar terms when $R\; {\leqslant}\;0.35\;nm.$.

• Macromolecular Research
• /
• 제15권1호
• /
• pp.59-64
• /
• 2007

Star-shaped, nonlinear optical (NLO) material was synthesized and its optical, thermal, and electro-optic properties were investigated. Three NLO-active dipolar chromophores containing a phenylene ring substituted with a bulky alkyl chain as a conjugation bridge were chemically bonded to the core of 1,1,1-tris(4-hydroxyphenyl)ethane to form a dendritic architecture. The chemical structure and purity of the chromophore were verified by NMR spectroscopy. The chromophore exhibited a broad absorption band centered at around 608 nm tailing up to 760 nm in toluene solution and also showed a discernible solvatochromic shift in more polar solvent. The chloroform solution of the dendrimer produced an absorption band with a red-shifted maximum as large as 28 nm when compared to that of the toluene solution. It was thermally stable up to $275^{\circ}C$ in a nitrogen atmosphere and had a glass transition temperature of $76^{\circ}C$. In a preliminary result, the polymer film containing the dendritic compound exhibited a shift of 19 pm/V taken at $1.55{\mu}$.

• Korean Chemical Engineering Research
• /
• 제49권1호
• /
• pp.21-27
• /
• 2011

The comparison work was conducted for the methanol steam reforming among commercial Cu-based catalysts, viz. ICI-M45, which is for the methanol synthesis, MDC-3 and MDC-7, which are for the water-gas shift reaction. The catalytic activity for the water-gas shift reaction was also compared over three catalysts. Among them, MDC-7 showed the highest methanol conversion and formation rate of hydrogen and carbon dioxide at 473 K for the methanol steam reforming. To find out any promotional effect between ICI-M45 and MDC-7, three different packing methods with these two catalysts were examined. However, no synergistic effect was observed. The catalytic activity for watergas shift reaction decreased in the following order: MDC-7 > MDC-3 > ICI-M45. The highest activity of MDC-7 for the methanol steam reforming as well as the water-gas shift reaction can be due to its high surface area, copper dispersion, and an adequate Cu/Zn ratio.

• Journal of the Korean institute of surface engineering
• /
• 제29권5호
• /
• pp.519-524
• /
• 1996

We synthesized semiconducting Sn-doped diamondlike carbon films by rf plasma-enhanced chemical vapor deposition using an organotin compound as a dopung gas source. XPS quan-titative analysis for the deposited films after 60 s argon ion etching revealed that Sn concen-tration increased with the partial pressure of the organotin compound in the reactant gas. In C 1s spectra, there was a component due to C-Su bond which had a negative chemical shift. C 1s spectra also indicated that the deposited films were relatively $sp^2$ rich. The chemical shift of the Sn-C bond in Sn $3d_{5/2}$ spectra was about +1.7 eV. The electrical resistivity and the optical transmittance were also investigated.

• Journal of Photoscience
• /
• 제11권3호
• /
• pp.95-99
• /
• 2004

Optical absorption and emission studies have been carried out to understand the effect of deuterium on the solvent dependent photophysical properties of curcumin in deuterated solvents such as $CDCl_3,\;(CD_3)_2SO,\;(CD_3)_2CO,\;CD_3OD\;and\;CD_3CN$. Optical absorption spectral studies showed that there is no significant shift in absorption maxima compared to the non-deuterated solvent. The fluorescence maxima shows significant shift with polarity of solvent but not much affected by the deuteration. The fluorescence quantum yield of curcumin increased marginally in almost all the deuterated solvents, indicating reduction in the non-radiative pathways. The fluorescence decay was biexponential in all the solvents and the average fluorescence lifetime was not much affected with deuteration, but showed decrease with increasing solvent polarity. Based on these studies, it is concluded that intermolecular hydrogen transfer is only partially responsible for the excited state deactivation of curcumin.

• Journal of the Korean Chemical Society
• /
• 제36권3호
• /
• pp.351-359
• /
• 1992

Interaction of xenon with alkaline-earth cations in Y zeolite supercage was studied by xenon adsorption and $^{129}Xe$ NMR experiments. The CaY and the BaY samples were prepared by exchanging $Ca^{2+}$ and $Ba^{2+}$ into a high-purity NaY zeolite. Xenon adsorption isotherms of these samples were obtained by using a conventional volummetric gas adsorption apparatus in the range of 260 to 320 K and the chemical shift in the $^{129}Xe$ NMR spectrum of the adsorbed xenon was measured at 296 K. The chemical shift against pressure was quantitatively explained assuming that the xenon gas exchanged very rapidly between various adsorption sites consisting of zeolite-framework surface and alkaline-earth ion. From this analysis, it was found that the alkaline-earth ion adsorbed xenon more strongly than $Na^+$ ion and zeolite-framework surface. Baring on the difference of the adsorption strength, the number of the alkaline-earth cations present in the zeolite supercage could be estimated by analyzing the adsorption isotherm.

• Journal of the Korean Chemical Society
• /
• 제29권3호
• /
• pp.277-282
• /
• 1985

The effects of linear free energy relationship (LFER) on the imidoyl proton (H${\alpha}$)-substituent chemical shift (SCS) in case of varying para-substituted C-phenyl group in N-benzylideneaniline derivatives were studied. The H${\alpha}$-SCS values and LFER parameters such as ${\sigma}$,${\sigma}^+$, ${\sigma}_I$,${\sigma}_R, F and R were applied to the Hammett, Okamoto-Brown, and Taft, Swain-Lupton's dual substituents parameter (DSP) equations. The results were: (1) the blending coefficient values, ${\lambda}$ = 2.8∼3.2, it's means that the resonance effect (R) was larger than inductive effect (I) and field effect (F), and (2) the values of percent resonance and percent field effects were %R = 66.6 and %F = 33.4, respectively, yielding the ratio of resonance effect (R) to field effect (F) of 2 : 1.

• Clean Technology
• /
• 제29권4호
• /
• pp.321-326
• /
• 2023

Recently, there has been a growing interest in clean hydrogen energy that does not emit carbon dioxide during combustion due to the increasing focus on carbon neutral. Research related to hydrogen production continues, and in this study, we applied waste-derived synthesis gas to the water-gas shift reaction to simultaneously treat waste and produce high-purity hydrogen. To enhance catalytic activity in the high-temperature water-gas shift (HT-WGS) reaction, magnesium was used as a support material alongside cerium. Cu-CeO₂-MgO catalysts were synthesized, with copper acting as the active component for the HT-WGS reaction. A study on the catalytic activity based on the preparation method was conducted, and the Cu-CeO₂-MgO catalyst prepared by impregnation method exhibited the highest activity in the HT-WGS reaction. The observed superior performance of the Cu-CeO₂-MgO catalyst prepared through the impregnation method can be attributed to its significantly higher oxygen storage capacity and amount of active Cu species.

• The Transactions of The Korean Institute of Electrical Engineers
• /
• 제56권1호
• /
• pp.156-160
• /
• 2007

Surface plasmon resonance(SPR) has been widely studied for biological and chemical sensing applications. The present study conducts numerical simulation for the single and bimetallic layer SPR configurations by using the multiple beam interference matrix(MBIM) method to investigate the influence of wave interference and complex refractive indices of materials on optical characteristics such as reflectance and optical phase shift which are used for sensing. First, calculated reflectances are compared with experimental data for validation. In addition, in the single film structures this study finds out the appropriate film thicknesses with minimum reflectance for cases of gold film and silver film. For a bimetallic silver-gold film structure, in particular, the bimetallic film thicknesses that has the minimum reflectance are found 36 nm for silver and 5 nm for gold. From the results, the use of phase shift would be useful compared to reflectance in determining the SPR configuration because the phase shift becomes more sensitive than reflectance.