• Analytical Science and Technology
• /
• v.18 no.5
• /
• pp.381-385
• /
• 2005

The title compound, $\{H_2NCH_2CH_2NH_2CH_2CH_2\}\{Cu(H_2O)_6\}(SO_4)_2$, I, has been synthesized under solvo/hydrothermal conditions and their crystal structure analyzed by X-ray single crystallography. Compound I crystallizes in the monoclinic system, $P2_1/n$ space group with a = 6.852(1), b = 10.160(2), $c=11.893(1){\AA}$, ${\beta}=92.928(8)^{\circ}$, $V=826.9(2){\AA}^3$, Z = 2, $D_x=1.815g/cm^3$, $R_1=0.031$ and ${\omega}R_2=0.084$. The crystal structure of the piperazine templated Cu(II)-sulfate demonstrate zero-dimensional compound constituted by doubly protonated piperazine cations, hexahydrated copper cations and sulfate anions. The central Cu atom has a elongated octahedral coordination geometry. The crystal structure is stabilized by three-dimensional networks of the intermolecular $O_{water}-H{\cdots}O_{sulfate}$ and $N_{pip}-H{\cdots}O_{sulfate}$ hydrogen bonds between the water molecules and sulfate anions and protonated piperazine cations. Based on the results of thermal analysis, the thermal decomposition reaction of compound I was analyzed to have three distinctive stages.

• Proceedings of the KIEE Conference
• /
• 2004.07c
• /
• pp.1605-1608
• /
• 2004

Single phase $CuInS_2$ thin film with a highest diffraction peak (112) at a diffraction angle ($2{\theta}$) of 27.7$^{\circ}$ was well made by SEL method at annealing temperature of 250 $^{\circ}C$ and annealing hour of 60 min in vacuum of $10^{-3}$ Torr or in S ambience for an hour. And the peak of diffraction intensity at miller index (112) of $CuInS_2$ thin film annealed in S ambience was shown a little higher about 11 % than in only vacuum. Single phase $CuInS_2$ thin films were appeared from 0.85 to 1.26 of Cu/In composition ratio and sulfur composition ratios of $CuInS_2$ thin films fabricated in S ambience were all over 50 atom%. Also when Cu/In composition ratio was 1.03, $CuInS_2$ thin film with chalcopyrite structure had the highest XRD peak (112). And lattice constant a and grain size of the thin film in S ambience were appeared a little larger than those in only vacuum. The largest lattice constant of a and grain size of $CuInS_2$ thin film in S ambience was 5.63 ${\AA}$ and 1.2 ${\mu}$m respectively. And the films in S ambience were all p-conduction type with resistivities of around $10^{-1}{\Omega}cm$.

• Bulletin of the Korean Chemical Society
• /
• v.27 no.9
• /
• pp.1297-1304
• /
• 2006

A systematic study of the structure, energetics and spectral characteristics of substituted aminoketenes $R(NH_2)$C=C=O (R = H, $CH_3$, $NH_2$, OH, $OCH_3$, CH=$CH_2$, C$\equiv$CH, CN, CHO, NO, $NO_2$) which are highly reactive and transient intermediates in synthesis has been conducted by ab initio calculations at the MP2/6- 31G*//MP2/6-31G* level. Twenty four stable isomers of the eleven substituted aminoketenes having dihedral angles $\phi NH_2\sim120{^{\circ}}$ and $60^{\circ}$ have been identified and their optimized geometries and energies obtained. Electrostatic and steric effects on the molecular geometries have been analyzed. While the $\pi$-acceptor groups lead to planar conformations, the electron-donor groups give rise to non-planar conformations. Isodesmic substituent stabilization energies relative to alkenes have been calculated and correlation with group electronegativities established. Role of induction effect by the substituent groups and resonance effects in charge distribution in the molecules has been analyzed. An analysis of the asymmetric stretching frequencies and intensities of the C=C=O group shows that affect of non-$\pi$ acceptor substituents on the frequency is determined by the field effect (F) and resonance effect (R) parameters, the calculated intensities I (km/mol.) are correlated to group electronegativities $x$ of the substituents by the relationship I = 640.2–100.1 $x$ (r = 0.92). The $\pi$-acceptor substituents increase the intensity which may be explained in terms of their delocalizing effect on the negative charge at the $C_{\beta}$ atom.

• Bulletin of the Korean Chemical Society
• /
• v.34 no.7
• /
• pp.2001-2005
• /
• 2013

The second-order rate constants ($k_{OH^-}$) for the reactions of Y-substituted-phenyl diphenylphosphinates (4a-4i) with $OH^-$ in $H_2O$ at $25.0{\pm}0.1^{\circ}C$ have been measured spectrophotometrically. Comparison of $k_{OH^-}$ with $k_{EtO^-}$ (the second-order rate constants for the corresponding reactions with $EtO^-$ in ethanol) has revealed that $EtO^-$ is less reactive than $OH^-$ although the former is ca. 3.4 $pK_a$ units more basic than the latter, indicating that the reactivity of these nucleophiles is not governed by their basicity alone. The Br${\o}$nsted-type plot for the reactions of 4a-4i with $OH^-$ is linear with ${\beta}_{lg}$ = -0.36. The Hammett plot correlated with ${\sigma}^-$ constants results in a slightly better correlation than that correlated with ${\sigma}^{\circ}$ constants but exhibits many scattered points. In contrast, the Yukawa-Tsuno plot for the same reactions exhibits an excellent linear correlation with ${\rho}$ = 0.95 and r = 0.55. The r value of 0.55 implies that a negative charge develops partially on the O atom of the leaving group. Thus, the reactions of 4a-4i with $OH^-$ have been concluded to proceed through a concerted mechanism.

• Bulletin of the Korean Chemical Society
• /
• v.34 no.7
• /
• pp.2086-2092
• /
• 2013

Two new high-nitrogen energetic compounds $ZTO{\cdot}2H_2O$ and $ZTO(phen){\cdot}H_2O$ have been synthesized (where ZTO = 4,4-azo-1,2,4-triazol-5-one and phen = 1,10-phenanthroline). The crystal structure, elemental analysis and IR spectroscopy are presented. Compound 1 $ZTO{\cdot}2H_2O$ crystallizes in the orthorhombic crystal system with space group Pnna and compound 2 $ZTO(phen){\cdot}H_2O$ in the triclinic crystal system with space group P-1. In $ZTO(phen){\cdot}H_2O$, there is intermolecular hydrogen bonds between the -NH group of ZTO molecule (as donor) and N atom of phen molecule (as acceptor). Thermal decomposition process is studied by applying the differential scanning calorimetry (DSC) and thermo thermogravimetric differential analysis (TG-DTG). The DSC curve shows that there is one exothermic peak in $ZTO{\cdot}2H_2O$ and $ZTO(phen){\cdot}H_2O$, respectively. The critical temperature of thermal explosion ($T_b$) for $ZTO{\cdot}2H_2O$ and $ZTO(phen){\cdot}H_2O$ is $282.21^{\circ}C$ and $195.94^{\circ}C$, respectively.

• Proceedings of the Korean Vacuum Society Conference
• /
• 2016.02a
• /
• pp.217-217
• /
• 2016

The amorphous InGaZnO (a-IGZO) is widely accepted as a promising channel material for thin-film transistor (TFT) applications owing to their outstanding electrical properties [1, 2]. However, a-IGZO TFTs have still suffered from their bias instability with illumination [1-4]. Up to now, many researchers have studied the sub-gap density of states (DOS) as the root cause of instability. It is well known that defect states can influence on the performances and stabilities of a-IGZO TFTs. The defects states should be closely related with the deposition condition, including sputtering power, and pressure. Nevertheless, it has not been reported how these defects are created during conventional RF magnetron sputtering. In general, during conventional RF magnetron sputtering process, negative oxygen ions (NOIs) can be generated by electron attachment in oxygen atom near target surface and then accelerated up to few hundreds eV by a self-bias; at this time, the high energy bombardment of NOIs induce defects in oxide thin films. Recently, we have reported that the properties of IGZO thin films are strongly related with effects of NOIs which are generated during the sputtering process [5]. From our previous results, the electrical characteristics and the chemical bonding states of a-IGZO thin films were depended with the bombardment energy of NOIs. And also, we suggest that the deep sub-gap states in a-IGZO as well as thin film properties would be influenced by the bombardment of high energetic NOIs during the sputtering process.In this study, we will introduce our novel technology named as Magnetic Field Shielded Sputtering (MFSS) process to prevent the NOIs bombardment effects and present how much to be improved the properties of a-IGZO thin film by this new deposition method. We deposited a-IGZO thin films by MFSS on SiO2/p-Si and glass substrate at various process conditions, after which we investigated the morphology, optical and electrical properties of the a-IGZO thin films.

• Bulletin of the Korean Chemical Society
• /
• v.24 no.8
• /
• pp.1141-1149
• /
• 2003

The structures and gas-phase ionization energies (ΔG°) of Meldrum's acid (I) and related cyclic (II-VI) and acyclic compounds (VII-IX) are investigated theoretically at the MP2/6-31+$G^*$, B3LYP/6-31+$G^*$, B3LYP/6- 311+$G^{**}$, B3LYP/6-311++G(3df,2p) and G3(+)(MP2) levels. Conformations of three neutral cyclic series vary gradually from boat (Meldrum's acid, I), to twisted chair (II) and to chair (III) as the methylene group is substituted for the ether oxygen successively. The preferred boat form of I can be ascribed to the two strong $n_O$ → σ* c-c antiperiplanar vicinal charge transfer interactions and electrostatic attraction between negatively charged C¹ and positively charged C⁴at the opposite end of the boat. All the deprotonated anionic forms have half-chair forms due to the two strong $n_C$ → π* c=0 vicinal charge transfer interactions. The dipole-dipole interaction theory cannot account for the higher acidity of Meldrum's acid (I) than dimedone (III). The origin of the anomalously high acidity of I is the strong increase in the vicinal charge transfer ($n_C$ → π* c=0) and 1,4-attrative electrostatic interactions (C¹↔C⁴) in the ionization (I → $I^-$ + $H^+$). In the acyclic series (VII-IX) the positively charged end atom, C⁴, is absent and the attractive electrostatic stabilization (C¹↔C⁴) is missing in the anionic form so that the acidities are much less than the corresponding cyclic series.

• Natural Product Sciences
• /
• v.21 no.2
• /
• pp.111-121
• /
• 2015

The root of Panax ginseng, is a Korea traditional medicine, which is used in both raw and processed forms due to their different pharmacological activities. As part of a continued chemical investigation of ginseng, the focus of this research is on the isolation and identification of compounds from Panax ginseng root by open column chromatography, medium pressure liquid chromatography, semi-preparative-high performance liquid chromatography, Fast atom bombardment mass spectrometric, and nuclear magnetic resonance. Dammarane-type triterpenoid saponins were isolated from Panax ginseng root by open column chromatography, medium pressure liquid chromatography, and semi-preparative-high performance liquid chromatography. Their structures were identified as protopanaxadiol ginsenosides [gypenoside-V (1), ginsenosides-Rb1 (2), -Rb2 (3), -Rb3 (4), -Rc (5), and -Rd (6)], protopanaxatriol ginsenosides [20(S)-notoginsenoside-R2 (7), notoginsenoside-Rt (8), 20(S)-O-glucoginsenoside-Rf (9), 6-O-[$\alpha$-L-rhamnopyranosyl(1$\rightarrow$2-$\beta$-D-glucopyranosyl]-20-O-$\beta$-D-glucopyranosyl-$3\beta$,$12\beta$, 20(S)-dihydroxy-dammar-25-en-24-one (10), majoroside-F6 (11), pseudoginsenoside-Rt3 (12), ginsenosides-Re (13), -Re5 (14), -Rf (15), -Rg1 (16), -Rg2 (17), and -Rh1 (18), and vinaginsenoside-R15 (19)], and oleanene ginsenosides [calenduloside-B (20) and ginsenoside-Ro (21)] through the interpretation of spectroscopic analysis. The configuration of the sugar linkages in each saponin was established on the basic of chemical and spectroscopic data. Among them, compounds 1, 8, 10, 11, 12, 19, and 20 were isolated for the first time from P. ginseng root.

• The Journal of Korean Institute of Electromagnetic Engineering and Science
• /
• v.14 no.6
• /
• pp.648-654
• /
• 2003

Diamond MIS(Metal-Insulator-Semiconductor) diodes and MISFETs(Metal-Insulator-Semiconductor Field Effect Transistors) were fabricated by employing various fluorides as gate insulator, and their electrical properties were closely investigated by means of C-V measurements. The A1/BaF$_2$/diamond MIS structure exhibited outstanding electrical properties. The MIS diode showed a very low surface state density of ∼10$\^$10//$\textrm{cm}^2$ eV near the valence band edge, and the observed effective mobility(${\mu}$$\_$eff/) of the MISFET was 400 $\textrm{cm}^2$/Vs, which is the highest value obtained until now in the diamond FET. From the chemiphysical point of view, the above result might be explained by the reduction of adsorbed-oxygen on the diamond surface via strong chemical reaction by the constituent Ba atom in the insulator during the film deposition(Oxygen-Gettering Effect).

• Environmental Analysis Health and Toxicology
• /
• v.15 no.3
• /
• pp.69-80
• /
• 2000

ADP-rubosylation may be involved in the process of macrophage activation. Nitric oxide (NO) has emerged as an important intracellular and interacellular regulatory molecule with function as diverse as vasodilation, neural communication or host defense. NO is derived from the oxidation of the terminal guanidino nitrogen atom of L-arginine by the NADPH -dependent enzyme, nitric oxide synthase (NOS) which is one of the three different isomers in mammalian tissues. Since NO can exert protective or regulatory functions in the cell at a low concentration while toxic effects at higher concentrations, its role may be tightly regulated in the cell. Therefore, this paper was focused on signal transduction pathway of NO synthesis, role of endogenous TGF-$\beta$ in NO production. effect of NO on superoxide formation. Costimulation of murine peritoneal macrophages with interferon-gamma (IFN-γ) and phorbol 12-myristate 13-acetate (PMA) increased both NO secretion and mRNA expression of inducible nitric oxide synthase (iNOS) when PMA abolished costimulation. Pretreatmnet of the cells with PMA abolished costimuation effects due to the depletion of protein kinase C (PKC) activities . The involvement of PKC in NO secretion could be further confirmed by PKC inhibitor, stauroprine, and phorbol ester derivative, phorbol 12,13-didecanoate. Addition of actinomycine D in IFN-γ plus PMA stimulated cells inhibited both NO secretion and mRNA expression of iNOS indication that PMA stabilizes mRNA of iNOS . Exogenous TGF-$\beta$ reduced NO secretion in IFN -γ stimulated murine macrophages. However addition of antisense oligodeoxynucleotide (ODN) to TGF-$\beta$ to this system recovered the ability of NO production and inhibited mRNA expression of TGF-$\beta$. ACAS interactive laser cytometry analysis showed that transportation of FITC -labeled antisense ODN complementary to TGF-$\beta$ mRNA could be observed within 5 min and reached maximal intensity in 30 min in the murine macrophage cells. NO released by activated macrophages inhibits superoxide formation in the same cells . This inhibition nay be related on NO-induced auto -adenosine diphosphate (ADP) -ribosylation . In addition, ADP-ribosylation may be involved in the process of macrophage activation .