• Journal of the Korean Magnetic Resonance Society
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• v.16 no.1
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• pp.78-90
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• 2012

To understand the electronic structure of $[NiS_4]^-$ complex ions, two complexes with such $[NiS_4]^-$ core, $FcCH=CHPymCH_3[Ni(dmit)_2]$ (Pym = pyridinium, $dmit^{2-}$ = 2-thioxo-1,3-dithiole-4,5-dithiolate) and $FcCH=CHPymCH_3[Ni(dddt)_2]{\cdot}{\frac{1}{2}}H_2O$ ($dddt^{2-}=5,6-dihydro-1,4-dithiin-2,3-dithiolato$), were synthesized to be characterized by X-ray crystallography, single crystal electron paramagnetic resonance (EPR) and density functional theory (DFT) calculation. Powder EPR spectra show narrow g-anisotropy but the anisotropy is bigger in $[Ni(dmit)_2]^-$ than in $[Ni(dddt)_2]^-$, indicating bigger spin density in Ni(III) d-orbital of $[Ni(dmit)_2]^-$ than in $[Ni(dddt)_2]^-$, which is consistent to DFT results. EPR studies of the crystals of the complexes surprisingly suggest that the $g_y$-axis of $[Ni(dddt)_2]^-$ is approximately on or perpendicular to the $[NiS_4]^-$ plane while the $g_y$-axis of $[Ni(dmit)_2]^-$ is on the plane, though DFT study of the complexes of this study and previously reported $[NiS_4]^-$ complexes indicate that the $g_y$-axis is on the $[NiS_4]^-$ plane.

• Journal of the Korean Magnetics Society
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• v.25 no.4
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• pp.117-122
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• 2015

The holes with a diameter of $35{\mu}m$ inside the GMR-SV (giant magnetoresistance-spin valve) film were patterned by using the photolithography process and ECR (electron cyclotron resonance) Ar-ion milling. From the magnetoresistance curves of the GMR-SV film with holes measuring by 4-electrode method, the MR (magnetoresistance ratio) and MS (magnetic sensitivity) are almost same as the values of initial states. On other side hand, the $H_{ex}$ (exchange bias coupling field) and $H_c$ (coercivity) dominantly increased from 120 Oe and 10 Oe to 190 Oe and 41 Oe as increment of the number of holes inside GMR-SV film respectively. These results were shown to be attributed to major effect of EMD (easy magnetic domian) having a region positioned between two holes perpendicular to the sensing current. On the basis of this study, the fabrication of GMR-SV applying to the hole formation improved the magnetoresistance properties having the thermal stability and durability of bio-device.

• Journal of Astronomy and Space Sciences
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• v.39 no.2
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• pp.35-42
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• 2022

During their respective missions, the spacecraft Voyager and Cassini measured several Saturn magnetosphere parameters at different radial distances. As a result of information gathered throughout the journey, Voyager 1 discovered hot and cold electron distribution components, number density, and energy in the 6-18 Rs range. Observations made by Voyager of intensity fluctuations in the 20-30 keV range show electrons are situated in the resonance spectrum's high energy tail. Plasma waves in the magnetosphere can be used to locate Saturn's inner magnetosphere's plasma clusters, which are controlled by Saturn's spin. Electromagnetic electron cyclotron (EMEC) wave ring distribution function has been investigated. Kinetic and linear approaches have been used to study electromagnetic cyclotron (EMEC) wave propagation. EMEC waves' stability can be assessed by analyzing the dispersion relation's effect on the ring distribution function. The primary goal of this study is to determine the impact of the magnetosphere parameters which is observed by Cassini. The magnetosphere of Saturn has also been observed. When the plasma parameters are increased as the distribution index, the growth/damping rate increases until the magnetic field model affects the magnetic field at equator, as can be seen in the graphs. We discuss the outputs of our model in the context of measurements made in situ by the Cassini spacecraft.

• Proceedings of the Korean Vacuum Society Conference
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• 2011.08a
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• pp.108-108
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• 2011

Organometallic complexes containing unpaired spins, such as metalloporphyrin or metallophthalocyanine, have extensively studied with increasing interests of their promising model systems in spintronic applications. Additionally, the use of these complexes as an acceptor molecule in chemical sensors has recently received great attentions. In this presentation, we have investigated adsorption of nitric oxide (NO) molecules at Co-porphyrin molecules on Au(111) surfaces with scanning tunneling microscopy and spectroscopy at low temperature. At the location of Co atom in Co-porphyrin molecules, we could observe a Kondo resonance state near Fermi energy in density of states (DOS) before exposing NO molecules and the Kondo resonance state was disappeared after NO exposing because the electronic spin structure of Co-porphyrin were modified by forming a cobalt-NO bonding. Furthermore, we could locally control the chemical reaction of NO dissociations from NO-CoTPP by electron injections via STM probe. After dissociation of NO molecules, the Kondo resonance state was recovered in density of state. With a help of density functional theory (DFT) calculations, we could understand that the modified electronic structures for NO-Co-porphyrin could be occurred by metal-ligand hybridization and the dissociation mechanisms of NO can be explained in terms of the resonant tunneling process via molecular orbitals.

• Journal of the Korean Magnetic Resonance Society
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• v.10 no.2
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• pp.141-154
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• 2006

A solid-state reaction of $V_2O_5$ with AlMCM-41 followed by calcinations generated $V^{5+}$ species in the mesoporous materials. Dehydration results in the formation of a vanadyl species, $VO^{2+}$, that can be characterized by electron spin resonance (ESR). The chemical environment of the vanadium centers in V-AlMCM-41 was investigated by XRD, EDX, diffuse reflectance UV-VIS, ESR, $^{29}Si,\;^{27}Al,\;and\;^{51}V$ NMR. It was found that the vanadium species on the wall surface and inside the wall of the hexagonal tubular wall of the V-AlMCM-41 were completely oxidized to tetrahedral $V^{5+}$ and transformed to square pyramidal by additional coordination to water molecules upon hydration. The oxidized $V^{5+}$ species on the wall surfaces and inside the wall were also reversibly reduced to $VO^{2+}$ species or lower valences by thermal process.

• Journal of the Korean Magnetic Resonance Society
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• v.6 no.2
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• pp.84-88
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• 2002

Dating and dosimetry using electron spin resonance (ESR) in 20th Century developed at both Yamaguchi University and Osaka University have been reviewed with emphasis on new prospects and strategies in 21th century. Natural radiation have been generating radicals that accumulated in archaeological and geological materials. ESR detects these radicals and the ESR signal intensity is proportional to the radiation dose and therefore the age. The assessment of the total dose of natural radiation and the annual dose rate give their ESR ages. The ESR dating of stalactites and stalagmites ant Akiyoshi cave in Yamaguchi prefecture in 1975 was extended to anthropological dating using bones and tooth enamel excavated in Greek Petralona cave. Fossils of shells and corals gave the ages of marine terraces and sea-level changes. Quartz grains gave the ages of geothermal alteration and fault movements. Future ESR dating of ices at outer planets anf their satellite are also investigated as basic studies for ices od $H_2O,\;CO_2,\;SO_2$ as well as terrestrial hydrates in laboratory. Atomic bomb radiation dosimetry at Hiroshima and Nagasaki using ESR lead to the dosimetry of personnel, Chemobyl and JCO criticality accidents. Monitoring of radiation dose with sensitive materials with tissue equivalence are being developed. finally a new scanning ESR imaging apparatus (a near field microwave microscope) developed in our laboratory gave ESR images of Radicals from fossils to Si-CVD and diamond films as summarized in my book in 2002.

• BMB Reports
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• v.30 no.6
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• pp.397-402
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• 1997

A thiol-specific spin label was attached to cysteine-102 of yeast cytochrome c and electron paramagnetic resonance (EPR) spectra were measured as a function of added cytochrome c oxidase concentration. The intensity decreased due to line broadening as cytochrome c formed a complex with cytochrome c oxidase and reached a minimum when the ratio of cytochrome c to cytochrome c oxidase became one. Replacement of either Lys-72 or Lys-87 of cytochrome c by Glu did not result in a significant change in binding affinity. Interestingly the K72E mutant, unlike K87E, had a much lower rate of electron transfer than the wild type. These results indicate that many positively charged residues as a group participate in complex formation but Lys-72 might be important for cytochrome c to be locked in an orientation for an efficient electron transfer. A stoichiometry of 1 was also confirmed by optical absorption of the cytochrome c-cytochrome c oxidase complex which had been run through a gel chromatography cloumn to remove unbound cytochrome c. The EPR spectrum of this 1:1 complex, however, was a mixture of two components. This explains a biphasic kinetics for a single binding site on cytochrome c oxidase without invoking conformational transition.

• Food Science and Preservation
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• v.16 no.2
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• pp.211-216
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• 2009

This study determined the photostimulated luminescence(PSL), thermoluminescence(TL), and electron spin resonance(ESR) properties of wheat and corn irradiated with 0-10 kGy of gamma-ray or electron-beam. PSL values of both irradiated grains, regardless of radiation source, were 241-429 photons/sec in nonirradiated samples(negative values, defined as ${\leq}700$ photons/60 sec) and 5,528-40,870 photons/60 sec in irradiated ones(positive values, defined as ${\geq}5,000$ photons/sec), thereby distinguishing irradiated from nonirradiated samples. The TL glow curves($TL_1$) peaked at around $300^{\circ}C$ in nonirradiated samples, but at about $180^{\circ}C$ in irradiated samples, at high intensities, regardless of radiation source. The TL ratios($TL_1/TL_2$) calculated to strengthen $TL_1$ data reliability were less than 0.03 for nonirradiated samples and over 0.20 for irradiated materials, in good agreement with threshold values for nonirradiated(${\leq}0.1$) and irradiated(${\geq}0.1$) samples. ESR analysis was not applicable in identification of irradiated wheat and corn. Electron-beam irradiation resulted in higher PSL and TL signals than did gamma-rays, at the same applied doses.

• Journal of Adhesion and Interface
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• v.11 no.4
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• pp.162-167
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• 2010

In the present work, the effect of electron beam irradiation on the chemical and thermal characteristics of cellulose-based jute fibers was explored by means of chemical analysis, electron spin resonance analysis, ATR-FTIR spectroscopy, thermogravimetric analysis and thermomechanical analysis. Jute fiber bundles were uniformly irradiated in the range of 2~100 kGy by a continuous method using a conveyor cartin an electron beam tunnel. Electron beam treatment, which is a physical approach to change the surfaces, more or less changed the chemical composition of jute fibers. It was also found that the radicals on the jute fibers can be increasingly formed with increasing electron beam intensity. However, the electron beam irradiation did not change significantly the chemical functional groups existing on the jute fiber surfaces. The electron beam irradiation influenced the thermal stability and thermal shrinkage/expansion behavior and the behavior depended on the electron beam intensity.

• Bulletin of the Korean Chemical Society
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• v.20 no.10
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• pp.1177-1180
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• 1999

The ab initio SCF MO and density functional theory (DFT) studies are carried out on the electrophilic (1a) and electron transfer (1b) addition reactions to the vinyl double bond of aryl vinyl sulfides and ethers. In the electrophilic addition processes, a double bond shift from C3 = C4 to X = C3 occurs with occupation number (1.97) close to the normal two. Due to this shift direct conjugation between the cationic center, X = S or O, and the para electron-donor substituent becomes impossible so that the reaction energies (or log K) are correlated with σ rather than σ+. By contrast, radical cation formation leads to delocalization of the SOMO, a lone-pair πorbital on X, with four major resonance structures in which cationic charge as well as spin density is delocalized over C4 , X and C7 atoms. As a result, partial πbonds are formed over C1 -X and C3 - C4 with occupation numbers (0.82) lower than one. In two of the cannonical structures, III(Ⅹ) and III(X+), direct conjugation between the cationic center, X, and the para substituent is achieved so that a better correlation with σ+ rather than σis obtained. The SCF MO energies at the HF/3-21G* and HF/6-31G* levels lead to very much inferior Hammett correlations in the σ/ σ+ diagnostic criterion. In contrast, the ρvalues evaluated with the DFT energies can give reliable diagnostic distinction between the two addition mechanisms.