• Bulletin of the Korean Chemical Society
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• v.24 no.6
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• pp.832-836
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• 2003

To extend the knowledge of triple bonding between group 6 transition metal and heavier group 14 elements, the structural and bonding aspects of ($η^5-C_5H_5$)$(CO)_2$M≡ER (M = Cr, Mo, W; E = Si, Ge, Sn, Pb) are investigated by hybrid density functional calculations at the B3PW91 level. Substituent effects are also investigated with R = H, Me, $SiH_3$, Ph, $C_6H_3-2,6-Ph_2$, $C_6H_3-2,6-(C_6H_2-2,4,6-Me_3)_2$, and $C_6H_3-2,6-(C_6H_2-2,4,6- iPr_3)_2$.

• Korean Journal of Crystallography
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• v.16 no.1
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• pp.43-53
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• 2005

The dihydrido P-C-P pincer complex, $IrH_2{C_6H_3-2,6-(CH_2PBu_2^t)_2}$ (1), was successfully prepared from the reaction of the hydrochloride complex, $IrClH (C_6H_3-2,6-(CH_2PBu_2^t)_2}$, and super acid $(LiBEt_3H)$ under 1 atm of hydrogen in pentane solution at room temperature and followed by Heating at $130^{\circ}C$ in vacuo. Jensen recently found that the dihydrido P-C-P pincer complex 1 is a highly active homogeneous catalyst for the transfer dehydrogenation of alkanes with unusual longterm stability at temperatures as high as $200^{\circ}C$. The treatment of dihydrido complex 1 with nitrogen, water, carbon dioxide, and carbon monoxide in presence of tert-butylethylene (the) at room temperature in an appropriate solution gave the dinitrogen complex, $[Ir{C-6H_3-2,6-(CH_2PBu_2^t)_2}]_2({\mu}-N_2)$ (2), the hydrido hydroxyl complex, $IrH(OH){C_6H_3-2,6-(CH_2PBu_2^t)_2}$ (3), the carbon dioxide complex, $Ir({\eta}^2-CO_2) {C_6H_3-2,6-(CH_2PBu_2^t)_2}$ (including the bicarbonate complex, $IrH({\kappa}^2-O_2COH){C_6H_3-2,6-(CH_2PBu_2^t)_2}\;(4))$, and the carbonyl complex, $Ir(CO) {C_6H_3-2,6-(CH_2PBu_2^t)_2}\;(5)$ (including the carboxyl complex, $IrH(C(O)OH) {C_6H_3-2,6-(CH_2PBu_2^t)_2}\;(6))$, in good yield, respectively. These P-C-P iridium complexes were isolated and characterized by $^1H,\;^{13}C,\;^{31}P\; NMR$, and IR spectroscopy. In addition, the complexes (1-6) were characterized by a single crystal X-ray crystallography. These complexes account for these small molecules' inhibition of dehydrogenation of alkanes catalyzed by the dihydrido complex 1.

• Bulletin of the Korean Chemical Society
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• v.7 no.2
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• pp.129-136
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• 1986

The dipole moments for some coordination compounds with organic ligands have been calculated adopting the molecuar orbitals obtained from EHT calculation with modified technique. Adopting the molecular orbitals with the modified technique, the calculated dipole moments for all the coordination compounds with organic ligands give closer agreements with experimental values than those using the molecular orbitals obtained from EHT calculation. The calculated dipole moments suggest that $(C_2H_5)_2SO,\;(C_6H_5)_2SO,\;and\;(C_6H_5)_2SeO$ may have a trigonal planar structure and $(C_6H_5)_3AsO,\;and\;(C_6H_5)_3PBCl_3$ a square planar structure and $(C_2H_5)_2OZrCl_4$ may be distorted markedly. This work may also indicate that the modified technique is superior to the EHT calculation as far as the dipole moment calculation is concerned.

• Bulletin of the Korean Chemical Society
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• v.31 no.12
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• pp.3745-3748
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• 2010

Pd(II) p-tolylamide Pd(2,6-$(Ph_2PCH_2)_2C_6H_3$)(NH($C_6H_4Me$-p)) (1) was metathetically prepared by the reaction of Pd(2,6-$(Ph_2PCH_2)_2C_6H_3$)Cl with NaNH($C_6H_4Me$-p). Treatment of 1 with carbon dioxide affords the palladium(II) carbamate Pd(2,6-$(Ph_2PCH_2)_2C_6H_3$)(OC(O)NH($C_6H_4Me$-p)) (2), quantitatively. Complex 2 reacts with HX (X = Cl, OTf) to give Pd(2,6-$(Ph_2PCH_2)_2C_6H_3$)X, $NH_2$(p-Tol) and $CO_2$. Reaction of the palladium(II) carbamate with MeI produced Pd(2,6-$(Ph_2PCH_2)_2C_6H_3$)I along with generation of methyl N-tolylcarbamate MeOC(O)NH($C_6H_4Me$-p), exclusively.

• Journal of the Korean Chemical Society
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• v.9 no.4
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• pp.153-160
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• 1965

Ultraviolet spectrophotometric investigations have been carried out on the systems of benzene with iodine, bromine, chlorine and iodine monobromide in carbon tetrachloride. The results reveal the formation of one to one molecular complexes of the type, $C_6H_6{\cdot}X_2\;or\;C_6H_6{\cdot}IX$ (X denotes halogen atoms). The equilibrium constants obtained at $25^{\circ}$for the complex formation are 0.173, 0.137, 0.0643 and 0.341 $lmole^{-1}$ for $C_6H_6{\cdot}I_2,\;C_6H_6{\cdot}Br_2,\;C_6H_6{\cdot}Cl_2\;and\;C_6H_6{\cdot}IBr$, respectively. These results combined with those obtained by other workers indicate that the relative stabilities of the benzene complexes decrease in the order, $ICl > IBr > I_2 > Br_2 > Cl_2.$ This order may be measure of their relative acidities toward benzene, which is explained in terms of the relative polarizabilities of halogen molecules and the relative electronegativities of halogen atoms.

• Journal of the Korean Institute of Telematics and Electronics D
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• v.35D no.11
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• pp.70-77
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• 1998

Ni/SiC Schottky diodes have been fabricated using epitaxial 4H-SiC and 6H-SiC wafers. The epitaxial n-type layers were grown on $n^{+}$ substrates, with a doping density of 4.0$\times$10$^{16}$ c $m^{-3}$ and a thickness of 10${\mu}{\textrm}{m}$. Oxide-termination has been adopted in order to obtain high breakdown voltage and low leakage current. The fabricated Ni/4H-SiC and Ni/6H-SiC Schottky barrier diodes show excellent rectifying characteristics up to the measured temperature range of 55$0^{\circ}C$. In case of oxide-terminated Schottky barrier diodes, breakdown voltage of 973V(Ni/4H-SiC) and 920V(Ni/6H-SiC), and a very low leakage current of less than 1nA at -800V has been observed at room temperature. On non-terminated Schottky barrier diodes, breakdown voltages were 430V(Ni/4H-SiC) and 160v(Ni/6H-SiC). At room temperature, SBH(Schottky Barrier Height), ideality factor and specific on-resistance were 1.55eV, 1.3, 3.6$\times$10$^{-2}$ $\Omega$.$\textrm{cm}^2$ for Ni/4H-SiC Schottky barrier diodes, and 1.24eV, 1.2, 2.6$\times$10$^{-2}$$\Omega$.$\textrm{cm}^2$/ for Ni/SH-SiC Schottky barrier diodes, respectively. These results show that both Ni/4H-SiC and Ni/6H-SiC Schottky barrier diodes are very promising for high-temperature and high power applications.s..

• Bulletin of the Korean Chemical Society
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• v.17 no.9
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• pp.802-807
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• 1996

Second-order rate constants have been measured spectrophotometrically for the reactions of aryl benzoates (X-C6H4CO2C6H4-Y) with EtO-, Z-C6H4O- and Z-C6H4C(Me)=NO- in absolute ethanol at 25.0 ℃. All the reactions have been performed in the presence of excess 18-crown-6 ether in order to eliminate the catalytic effect shown by alkali metal ion. A good Hammett correlation has been obtained with a large ρ- value (-1.96) when σ- (Z) constant was used for the reaction of p-nitrophenyl benzoate (PNPB) with Z-C6H4O-. Surprisingly, the one for the reaction of PNPB with Z-C6H4C(Me)=NO- gives a small but definitely positive ρ- value (＋0.09). However, for reactions of C6H5CO2C6H4-Y with EtO-, correlation of log k with σ- (Y) constant gives very poor Hammett correlation. A significantly improved linearity has been obtained when σ0 (Y) constant was used, indicating that the leaving group departure is little advanced at the TS of the RDS. For reactions of X-C6H4CO2C6H4-4-NO2 with EtO-, C6H5O- and C6H5C(Me)=NO-, correlations of log k with σ (X) constants for all the three nucleophile systems give good linearity with large positive ρ values, e.g. 2.95, 2.81 and 3.06 for EtO-, C6H5O- and C6H5C(Me)=NO-, respectively. The large ρ values clearly suggest that the present reaction proceeds via a stepwise mechanism in which the formation of the addition intermediate is the RDS.

• Industry Promotion Research
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• v.3 no.2
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• pp.1-8
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• 2018

In this study, the reaction mechanism of ethane and the reaction rate equation suitable for hydrocarbon reforming were studied. Through the reaction mechanism analysis, it was confirmed that three reactions (CO2 + H2, C2H6 + H2, C2H6 + H2O) proceed during the reforming reaction of ethane, each reaction rate (CO2+H2($r=3.42{\times}10-5molgcat.-1\;s-1$), C2H6+H2($r=3.18{\times}10-5mol\;gcat.-1s-1$), C2H6+H2O($r=1.84{\times}10-5mol\;gcat.-1s-1$)) was determined. It was confirmed that the C2H6 + H2O reaction was a rate determining step (RDS). And the reaction equation of this reaction can be expressed as r = kS * (KAKBPC2H6PH2O) / (1 + KAPC2H6 + KBPH2O) (KA = 2.052, KB = 6.384, $kS=0.189{\times}10-2$) through the Langmuir-Hinshelwood model. The obtained equation was compared with the derived power rate law without regard to the reaction mechanism and the power rate law was relatively similar fitting in the narrow concentration change region (about 2.5-4% of ethane, about 60-75% of water) It was confirmed that the LH model reaction equation based on the reaction mechanism shows a similar value to the experimental value in the wide concentration change region.

• Bulletin of the Korean Chemical Society
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• v.23 no.1
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• pp.132-136
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• 2002

$Pt(2,6-(Cy_2PCH_2)_2C_6H_3)(OTf)\;(OTf=CF_3SO_3^-)$ readily reacts with various amines to afford cationic amine complexes $[Pt(2,6-(Cy_2PCH_2)_2C_6H_3)(amine)](OTf)\;(amine=NH_3,\;NHMe_2,\;NHC_4H_8,\;NH_2Ph,\;NH_2(Tol-p))$ in high yields. These complexes have been fully characterized by IR, $^1H-,\;^{19}F{^1H}-,\;and\;^{31}P{^1H}-NMR$ spectroscopy, and elemental analyses. Reaction of $Pt(2,6-(Cy_2PCH_2)_2C_6H_3)(OTf)$ with acrylonitrile quantitatively produced the ${\pi}$-olefinic complex $Pt(2,6-(Cy_2PCH_2)_2C_6H_3)(CH_2=CHCN)](OTf)$ which is only stable in solution in the presence of acrylonitrile. Attempt at isolating this complex in the pure solid state was failed due to partial decomposition into $Pt(2,6-(Cy_2PCH_2)_2C_6H_3)(OTf)$ The equilibrium constants $(K_{eq}=[Pt(PCP)-(NH_2R)^+][CH_2=CHCN]/[Pt(PCP)(CH_2=CHCN)^+][NH_2R]:\;[Pt(2,6-(Cy_2PCH_2)_2C_6H_3)(CH_2=CHCN)]^++NH_2R{\rightleftarrows}[Pt(2,6-(Cy_2PCH_2)_2C_6H_3)(NH_2R)]^++CH_2=CHCN=Ph,\;p-tolyl)$ were calculated to be 0.28 (for R = Ph) and 3.1 (R = p-tolyl) at $21^{\circ}C$. The relative stability of the ${\sigma}$-donor amine versus the ${\pi}$-olefinic acrylonitrile complex has been found largely dependent upon the amine-basicity $(pK_b)$, implicating that acrylonitrile practically competes with amine in the platinum coordination sphere. On the contrary to the formation of the acrylonitrile complex, no reaction of $Pt(2,6-(Cy_2PCH_2)_2C_6H_3)(OTf)$ with other olefins such as ethylene, styrene and methyl acrylate was observed.

• Journal of Ginseng Research
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• v.25 no.3
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• pp.136-140
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• 2001

Effects of incubation temperature and pH on chlamydospore germination of Cylindrocarpon destrcutans (isolate CY-9802) causing root rot of Panax ginseng were studied. Germination rate of the chlamydospores on Czapek solution agar(CSA) was higher than on potato dextrose agar(PDA) at the incubation temperatures tested. The chlamydospores were able to be germinated at range of 5$\^{C}$ to 30$\^{C}$ after 48 hours incubation on CSA. Germination rate was 53.2∼6.27% at range of 15$\^{C}$ to 25$\^{C}$, and the optimum temperature was 20$\^{C}$, whereas they were very low at 30$\^{C}$ on PDA. Germination rate was 43.6% to 47.9% at range of 10$\^{C}$ to 20$\^{C}$, and the optimum temperature was 20$\^{C}$ as well. They were able to be germinated at pH of 5.2 to 8.1 on CSA and 5.2 to 7.2 on PDA. Optimum pHs for the germination on CSA and PDA were from 6.4 to 8.2 and from 5.2 to 6.0, respectively. Mycelial color of the fungus on CSA was pale brown at pH from 5.2 to 6.0 and white from pH 6.4 to 8.1, while it was typical dark brown ar range of pH 5.2 to 7.1 and brown at pH 7.2 on PDA after 21 days incubation.