• 제목/요약/키워드: $H_{c2}$

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Synthesis and Characterization of Air Stable σ-Bonded ortho-carborane Manganese Metal Complexes $1-[Mn(CO)_5]-2-R-1,2-closo-(σ-C_2B_{10}H_{10}$ and Their Conversion to the Stable ortho-carborane Substituted Fischer-type Carbene Compexes 1-[(CO

  • 김세진;김유혁;고재정;강상욱
    • Bulletin of the Korean Chemical Society
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    • 제16권7호
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    • pp.634-641
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    • 1995
  • The metal-carbon σ-bond cluster complexes 1-Mn(CO)5-2-R-1,2-C2B10H10 (R=CH3 Ia, C6H5 Ib) have been prepared in good yields from readily available carboranyl lithium complexes, 1-Li+-2-R-1,2-C2B10H10- (R=CH3, C6H5), by direct reaction with (CO)5MnBr. These manganese metal complexes are rapidly converted to the corresponding manganese metal carbene complexes, 1-[(CO)4Mn=C(OCH3)(CH3)]-2-R-1,2-C2B10H10 (R=CH3 IIIa, C6H5 IIIb), via alkylation with methyllithium followed by O-methylation with CF3SO3CH3. The crystal structure of IIIb was determined by X-ray diffraction. Thus, complex IIIb crystallizes in the orthorhombic space group P212121 with cell parameters a=15.5537(5), b=19.0697(5), c=7.4286(3) Å, V=2203.4(1) Å3, and Z=4. Of the reflections measured a total of 3805 unique reflections with F2>3σ(F2) was used during subsequent structure refinement. Refinement converged to R1=0.053 and R2=0.091. Structural studies showed that the manganese atom had a slightly distorted pseudo-octahedral configuration about the metal center with the carbene and ortho-carborane occupying the equatorial plane cis-orientation to each other.

DFT Study for Substitution Patterns of C20H18X2 Regioisomers (X = F, Cl, Br, or OH)

  • Hwang, Yong-Gyoo;Lee, Seol;Lee, Kee-H.
    • Bulletin of the Korean Chemical Society
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    • 제33권2호
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    • pp.641-646
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    • 2012
  • We used the hybrid density-functional (B3LYP/6-31G(d,p)) method to analyze the substitution patterns of $C_{20}H_{18}X_2$ derivatives (X = F, Cl, Br, or OH) obtained as disubstituted $C_{20}H_{20}$ cages. Our results suggest that the cis-1 regioisomers (1,2-dihalo derivatives) are less stable than the trans-1 regioisomers (1,20-dihalo derivatives), whereas in the case of the dihydroxy derivatives, the cis-1 regioisomer is more stable than the trans-1 regioisomer. This implies that in the dihalo-induced strain cages of $C_{20}H_{18}X_2$, the strain effect would affect the relative energies, while in the dihydroxide, the hydrogen bonds have a stronger effect on the relative energies in cis-1 regioisomer than the strain effect do. Thus this supports the experimental result in which the bisvicinal tetrol was of particular preparative-synthetic interest as a substitute for the lacking bisvicinal tetrabromide. Further, the topologies of the HOMO and LUMO characteristics of all $C_{20}H_{18}Cl_2$ and $C_{20}H_{18}Br_2$ regioisomers with the same symmetry are same, but they are different from those of $C_{20}H_{18}F_2$ and $C_{20}H_{18}(OH)_2$. This indicates that the five regioisomers of each $C_{20}H_{20}$ disubstituted derivative will have an entirely different set of characteristic chemical reactions.

Ni/CNT/SiO2 구조의 4H-SiC MIS 캐패시터의 전기적 특성 (Electrical characteristics of 4H-SiC MIS Capacitors With Ni/CNT/SiO2 Structure)

  • 이태섭;구상모
    • 전기전자학회논문지
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    • 제18권4호
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    • pp.620-624
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    • 2014
  • 본 연구에서는, Ni/CNT/$SiO_2$ 구조의 4H-SiC MIS 캐패시터를 제작하고 전기적 특성을 조사하였다. 이를 통하여 4H-SiC MIS 소자에서 탄소나노튜브의 역할을 분석하고자 하였다. 탄소나노튜브는 이소프로필알코올과 혼합하여 $SiO_2$ 표면에 분산하였다. 소자의 전기적 특성 분석을 위하여 300-500K의 온도 범위에서 소자의 정전용량-전압 특성을 측정하였다. 밴드 평탄화 전압은 양의 방향으로 shift되었다. 정전용량-전압 그래프로부터 계면 포획 전하 밀도 및 산화막 포획 전하 밀도가 유도되었다. 산화막의 상태는 4H-SiC MIS 구조의 계면에서 전하 반송자 또는 결함 상태와 관련된다. 온도가 증가함에 따라 밴드 평탄화 전압은 음의 방향으로 shift되는 결과를 얻었다. 실험 결과로부터, Ni과 $SiO_2$ 계면에 탄소나노튜브를 첨가함에 따라 4H-SiC MIS 캐패시터의 게이트 특성을 조절 가능할 것으로 판단된다.

PEBAX-NaY Zeolite 복합막에 의한 $C_3H_6/C_3H_8$ 분리에 관한 연구 (Separation of $C_3H_6/C_3H_8$ by PEBAX-NaY Zeolite Composite Membranes)

  • 김슬기;이현경
    • 멤브레인
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    • 제25권1호
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    • pp.42-47
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    • 2015
  • PEBAX[poly(ether-block-amide)]에 NaY zeolite를 첨가하여 PEBAX-NaY zeolite 복합막을 제조하고 제조한 복합막에 대한 $C_3H_6$$C_3H_8$의 투과도와 선택도($C_3H_6/C_3H_8$)에 대하여 조사하였다. SEM관찰에 의하면 PEBAX-NaY zeolite 복합막 내에 NaY zeolite는 $0.5{\sim}2.5{\mu}m$의 덩어리 상태로 분산되어 있었다. TGA측정에 의하면 PEBAX에 NaY zeolite가 첨가되면 첨가된 NaY zeolite 양만큼의 질량 변화를 알 수 있었다. 기체투과 실험에 의하면 PEBAX-NaY zeolite 복합막 내의 NaY zeolite함량이 증가할수록 $C_3H_6$$C_3H_8$의 투과도는 감소하였고, $C_3H_6$의 투과도는 $C_3H_8$의 투과도보다는 크게 나타났으며, 기체선택도($C_3H_6/C_3H_8$)는 감소하는 경향을 나타내었다.

네자리 Schiff Base 리간드의 몰리브덴착물에 관한 연구 (제1보) (Studies on the Molybdenum Complexes with Tetradentate Schiff Base Ligand (I). N,N'-bis (Salicylaldehyde)-ethylene Diimine)

  • 조기형
    • 대한화학회지
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    • 제18권4호
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    • pp.267-271
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    • 1974
  • 네자리 schiff base 리간드로서 N,N-비스(살리실알데히드)에틸렌디이민과 Mo(IV), Mo(V), Mo(VI) 및 Mo(III)의 각 산화상태인 몰리브덴이온들과의 반응으로서 새로운 착물$[MoO_2(C_{16}H_{14}O_2-N_2)], [MoO(C_{16}H_{14}O_2N_2)]_2O, (Mo(SCN)(C_{16}H_{14}O_2N_2)]_2O$들을 합성하였다. 이들 착물들은 리간드와 몰리브덴의 몰비가 1:1이며, 6배위의 가상적인 구조로 주어짐을 원소 분석치와 가시부 및 적외선 흡수스펙트럼, T.G.A., D.T.A. 및 X-ray 회절의 고찰로서 알아보았다.

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Synthesis and Characterization of Group 13 Compounds of 2-Acetylpyridine Thiosemicarbazone. Single-Crystal Structure of $(iC_4H_9)-2Al(NC_5H_4C(CH_3)$NNC(S)NHPh)

  • 강영진;강상옥;고재정;손정인
    • Bulletin of the Korean Chemical Society
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    • 제20권1호
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    • pp.65-68
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    • 1999
  • Novel mononuclear group 13 metal complexes with the formula (R2M){NC5H4C(CH3)NNC(S)NH(C6H5)} (M=Al, R=iC4H9 (1); M=Ga, R=iC4H9 (2); M=Al, R=CH2SiMe3 (3); M=Ga, R=CH2SiMe3 (4)) result when 2-acetyl pyridine 4-phenyl-thiosemicarbazone ligand is mixed with trialkyl aluminum or trialkylgallium. These compounds 1-4 are characterized by microanalysis, NMR (1H, 13C) spectroscopy, mass spectra, and singlecrystal X-ray diffraction. X-ray single-crystal diffraction analysis reveals that 1 is mononuclear metal compound with coordination number of 5 and N, N, S-coordination mode.

공침법에 의한 Cordierite분말의 합성 및 소결에 관한 연구 (Synthesis and Sintering of Cordierite by using Coprecipitation Method)

  • 한문희;박금철
    • 한국세라믹학회지
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    • 제27권7호
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    • pp.899-906
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    • 1990
  • The cordierite powders were prepared from Mg(NO3)2.6H2O, Al(NO3)3.9H2O and colloidal silica by the coprecippitation method, and the sintering behavior of the powders were investigated. Two different methods were applied for producing the precursor powders. The one was to added the aqueous solution of Mg(NO3)2.6H2O and Al(NO3)3.9H2O to NH4OH to adjust pH at 10 where the colloidal silica of pH 10 was added. The other wa to add the aqueous solution of Mg(NO3)2.6H2O and Al(NO3)3.9H2O to the colloidal silica with NH4OH to control the final mixture to be at pH 10. It was confirmed that more homogeneous powders were obtained from the latter method. The firing linear shrinkage of the powder compacts fabricated from the calcined powder between 90$0^{\circ}C$ and 110$0^{\circ}C$ was found to be larger as the calcination temperature was low. But all of them stopped shrinking around 120$0^{\circ}C$. The powder compacts, fabricated using the calcined powders at 90$0^{\circ}C$ and 95$0^{\circ}C$ for 2hours and sintered at 142$0^{\circ}C$ for 2hours, showed relative density of 93-96%, 3-point bending strength of 81-83MPa, KIC of 1.9-2.4 MPam1/2 and thermal expansion coefficient of 0.213-0.732$\times$10-6$^{\circ}C$.

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Study of Complexes of C2- and C6-dihydroceramides with Transition Metal Ions Using Electrospray Ionization Tandem Mass Spectrometry (ESI-MS/MS)

  • Lim, Jin-Yi;Kumar, Avvaru Praveen;Kim, Chang-Dae;Ahn, Chul-Jin;Yoo, Young-Jae;Lee, Yong-Ill
    • Bulletin of the Korean Chemical Society
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    • 제30권2호
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    • pp.397-401
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    • 2009
  • The complexes of $C_2-\;and\;C_6$-dihydroceramides with transition metal ions have been investigated by using Electrospray ionization-tandem mass spectrometry (ESI-MS/MS). The formation and fragmentation pathways of several doubly charged cluster ions as well as singly charged cluster ions of $C_2-\;and\;C_6$-dihydroceramides with transition metal ions have studied by ESI-MS/MS in the positive mode. Under ESI conditions, dihydroceramides form singly and doubly charged complexes with transition metal ions $(Mn^{2+},\;Fe^{2+},\;Co^{2+},\;Ni^{2+},\;and\;Zn^{2+}\;except\;Cu^{2+})$ with the compositions of $[DHCer+M+2H^2O-H]^+,\;[2DHCer+M+2H2O-H]^+,\;[3DHCer+M+2H2O-H]^+,\;[2DHCer+M]^{2+},\;[3DHCer+M]^{2+},\;[4DHCer+M]^{2+},\;[5DHCer+M]^{2+},\;and\;[6DHCer+M]^{2+}\;(DHCer\;=\;C_2-\;or\;C_6$-dihydroceramide, M = transition metal ion). The different complexation behavior of copper is responsible for relatively lower affinity of dihydroceramides to copper compared to those of other transition metals. It is also found that in the mass spectrum of the dihydroceramide complexes with copper(II), [2DHCer+Cu-H]$^+$ was observed with considerable intensity as well as [2DHCer+Cu+2$H_2O-H]^+$ due to its different geometry from those of other metals.

New Transition Metal Mediated Alkylation Reaction of arachno-$S_{2}B_{7}H_{8}$, Insertion Reaction of arachno-$S_{2}B_{7}H_{8}^{-}$ with $(CO)_{5}M$ {${C(R_{1})(R_{2})}$} $(M=Cr,\;W;\;R_{1}=CH_{3},\;C_{6}H_{5};\;R_{2}=OCH_{3},\;SC_{6}H{5})$: Synthesis and Characterization of arachno-$4-RCH_{2}-6,8-S_{2}B_{7}H_{8}\;(R=CH_{3},\;IIa;\;C_{6}H_{5},\;IIb)$

  • Hee-Joo Jeon;Jae-Jung Ko;Kang-bong Lee;Sang Ook Kang
    • Bulletin of the Korean Chemical Society
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    • 제14권1호
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    • pp.113-117
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    • 1993
  • Good yield synthetic routes for the production of new B-alkyl-dithiaborane clusters are reported. The syntheses of the B-alkyl-dithiaboranes are based on the use of Fischer-type carbene reagents to activate the B-H bonds of dithiaborane for alkyl-addition reactions and are the first examples of transition-mediated reactions of dithiaborane to be reported. Thus, reactions employing arachno-$S_2B_7H_8$- and $(CO)_5M{C(R_1)R_2}$ (M = Cr, W; $R_1 = CH_3,\;C_6H_5;\; R_2 = OCH_3,\;SC_6H_5)$ were found to yield the intermidiate anions I, $[(CO)_5M{C(R_1)R_2S_2B_7H_8}]^-$, which upon protonation gave the corresponding neutral, air-sensitive cluster arachno-4-$RCH_2-6,8-S_2B_7H_8(R=CH_3,\;IIa;\;C_6H_5,\;IIb)$ range from 30 to 35% yield. Complexes IIa and IIb are isoelectronic with arachno-6,8-$S_2B_7H_9$ and, on the basis of the spectroscopic data, are proposed to adopt a similar arachno cage geometry in which an $RCH_2$ units are substituted to 4 position boron atom of the arachno-6,8-$S_2B_7H_9$.

Clostridium butyricum [절대혐기발효세균]과 Thiocapsa roseopersicina [홍색유황세균]의 수소생산 효소 특성 비교 (Comparison of hydrogenases prepared from Clostridium butyricum and Thiocapsa roseopersicina)

  • 백진숙;윤영수;김미선
    • 한국수소및신에너지학회논문집
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    • 제16권3호
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    • pp.219-228
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    • 2005
  • Fermentative strict anaerobic bacterium, Clostricium butyricum NCIB 9576 (Cl. butyricum) and purple sulfur phototrophic bacterium, Thiocapsa roseopersicina NCIB 8347 (T. roseopersicina) were compared on their temperature and oxygen stabilities of cytoplasmic hydrogenases. Cell growth phase and the specific activities of evolution $H_2ase$ were related for both strains, exhibiting the highest cytoplasmic $H_2ase$ activities during the logarithmic growth phases which were 4 and 18 hrs after the incubation for Cl. butyricum and T. roseopersicina, respectively. The optimum temperatures for the growth of Cl. butyricum and T. roseopersicina were 37$^{\circ}C$ and 27$^{\circ}C$, respectively, while those for $H_2$ evolution of cytoplsmic hydrogenases prepared from Cl. butyricum ($C-H_2ase$) and T. roseopersicina ($T-H_2ase$) were 45$^{\circ}C$ and 65$^{\circ}C$, respectively. $T-H_2ase$ was more thermo-stable than $C-H_2ase$. $T-H_2ase$ retained its full activity for 5 hrs at 50$^{\circ}C$ and retained 90% of its original activity for 5 hrs at 60$^{\circ}C$, however, $C-H_2ase$ lost its activity drastically at 50$^{\circ}C$. The optimum pHs for $H_2$ oxidation of $C-H_2ase$ and $T-H_2ase$ were 9.0 and 7.5 respectively. The both enzymes showed maximum $H_2$ evolution activity at pH 7.0. Under the aerobic condition, 80% of $T-H_2ase$ activity was retained for 10 hrs at 30$^{\circ}C$, and 50% of activity was still remained after 6 days at the same experimental conditions. But the $C-H_2ase$ was labile to oxygen and lost its activity immediately after the exposure to air.