• 제목/요약/키워드: H-bonding

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Theoretical Studies for the Supercritical CO2 Solubility of Organophosphorous Molecules: Lewis Acid-Base Interactions and C-H···O Weak Hydrogen Bonding

  • Kim, Kyung-Hyun;Kim, Yong-Ho
    • Bulletin of the Korean Chemical Society
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    • 제28권12호
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    • pp.2454-2458
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    • 2007
  • Exploring the basic concepts for the design of CO2-philic molecules is important due to the possibility for “green” chemistry in supercritical CO2 as substitute solvent systems. The Lewis acid-base interactions and C?H…O weak hydrogen bonding were suggested as two key factors for the solubility of CO2-philic molecules. We have performed high level quantum mechanical calculations for the van der Waals complexes of CO2 with trimethylphosphate and trimethylphosphine oxide, which have long been used for metal extractants in supercritical CO2 fluid. Structures and energies were calculated using the MP2/6-31+G(d) and recently developed multilevel methods. These studies indicate that the Lewis acid-base interactions have larger impact on the stability of structure than the C?H…O weak hydrogen bonding. The weak hydrogen bonds in trimethylphosphine oxide have an important role to the large supercritical CO2 solubility when a metal is bound to the oxygen atom of the P=O group. Trimethylphosphate has many Lewis acid-base interaction sites so that it can be dissolved into supercritical CO2 easily even when it has metal ion on the oxygen atom of the P=O group, which is indispensable for a good extractant.

결합공간과 반결합공간 (제2보). $H_2O_2$$C_2H_6$의 Internal Rotation Barrier의 원천적 요인 (Bonding and Antibonding Regions (II). Origin of Barriers to Internal Rotation of $H_2O_2$ and $C_2H_6$)

  • 김호징;이덕환
    • 대한화학회지
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    • 제23권1호
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    • pp.20-29
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    • 1979
  • 과산화수소와 에탄의 integral rotation barrier의 원천적 요인을 결합 공간과 반결합 공간의 개념을 이용하여 연구하였다. internal rotation barrier는, 중심 원자의 존재로 인하여 천이밀도가 중심 원자가 없을 때보다 더 많이 반결합 공간으로 쏠림에 기인 함을 밝혔다. 이러한 천이밀도의 쏠림은 강한 O-H (또는 C-H) 결합에 의하여 내부 회전에 따른 전자밀도의 변화가 적어지는 것으로 설명할 수 있음을 보였다.

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Hydrogen-Bonding Induced Alternating Thin Films of Dendrimer and Block Copolymer Micelle

  • Park, Chi-Young;Rhue, Mi-Kyo;Im, Min-Ju;Kim, Chul-Hee
    • Macromolecular Research
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    • 제15권7호
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    • pp.688-692
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    • 2007
  • The hydrogen-bonding induced alternating multilayer thin films of dendrimers and block copolymer micelles were demonstrated. The block copolymer micelles derived from amphiphilic poly(2-ethyl-2-oxazoline)block-$poly({\varepsilon}-carprolactone)$ (PEtOz-PCL) in aqueous phase have a core-shell structure with a mean hydrodynamic diameter of 26 nm. The hydrogen bonding between the PEtOz outer shell of micelle and the carboxyl unit of poly(amidoamine) dendrimer of generation 4.5 (PAMAM-4.5G) at pH 3 was utilized as a driving force for the layerby-layer alternating deposition. The multilayer thin film was fabricated on the poly(methyl methacrylate) (PMMA) thin film spin-coated on silicon wafer or glass substrate by the alternate dipping of PEtOz-PCL micelles and PAMAM dendrimers in aqueous solution at pH 3. The formation of multilayer thin film was characterized by using ellipsometry, UV-vis spectroscopy, and atomic force microscopy. The PEtOz outer shell of PEtOz-PCL micelle provided the pH-responsive hydrogen bonding sites with peripheral carboxylic acids of PAM AM dendrimer. The multilayer thin film was reversibly removed after dipping in aqueous solution at $pH{\geq}5.6$ due to dissociation of the hydrogen bonding between PEtOz shell of PEtOz-PCL micelle and peripheral carboxyl units of PAMAM dendrimer.

DESIGN OF ADHESIVE BONDED JOINT USING ALUMINUM SANDWICH SHEET

  • PARK Y.-B.;LEE M.-H.;KIM H.-Y.;OH S.-I.
    • International Journal of Automotive Technology
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    • 제6권6호
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    • pp.657-663
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    • 2005
  • Recently, weight reduction of vehicles has been of great interest, and consequently the use of composite materials in the automotive industry is increasing every year. Composite sandwich panels which consist of two skins and core materials are replacing steels in automotive floor and door. The substitution of one material for another is accompanied by change of joining method, so that adhesive bonding has been popularly used for joining method of composite materials. In the case of adhesive bonding of composite materials, there could be loss in the joint strength by delamination of two faceplates or cracking on faceplate. Thus, it is necessary to prevent loss in the joint strength by designing the joint geometry. In the present paper, adhesive bonding of aluminum sandwich sheet was tried. For understanding joint behavior, studies on stresses in the single lap joint were reviewed and failure modes of composite material were analyzed. Strength tests on the single lap joint consisting of aluminum sandwich sheet and steel were performed and variation of the joint strength with the joint configuration was shown. Based on these results, design guide of adhesive bonding in aluminum sandwich sheet was suggested.

4-point bending test system을 이용한 Cu-Cu 열 압착 접합 특성 평가 (Characterization and observation of Cu-Cu Thermo-Compression Bonding using 4-point bending test system)

  • 김재원;김광섭;이학주;김희연;박영배;현승민
    • 마이크로전자및패키징학회지
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    • 제18권4호
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    • pp.11-18
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    • 2011
  • 3차원 칩 적층 접합에 사용하기 위한 Cu-Cu 금속 저온 접합 공정을 위하여 접합 온도 및 플라즈마 표면 전처리에 따른 열 압착 접합을 수행 하였다. 4점굽힘시험과 CCD 카메라를 이용하여 Cu 접합부의 정량적인 계면접착에너지를 평가하였다. 접합 온도 $250^{\circ}C$, $300^{\circ}C$, $350^{\circ}C$에서 각각 $1.38{\pm}1.06$(상한값), $7.91{\pm}0.27$(하한값), $10.36{\pm}1.01$(하한값) $J/m^2$으로 접합온도 $300^{\circ}C$ 이상에서 계면접착에너지 5 $J/m^2$ 이상의 값을 얻었다. 접합 온도 $300^{\circ}C$ 이하 낮은 온도에서 접합하기 위해 Cu-Cu 열 압착 접합 전 Ar+$H_2$ 플라즈마로 $200^{\circ}C$에서 2분간 표면 전처리 후 $250^{\circ}C$ 조건에서 열 압착 접합할 경우 계면접착에너지 값이 $6.59${\pm}0.03$(하한값) $J/m^2$로 표면 전 처리하지 않은 시험편에 비해 접합 특성이 크게 증가 하였다.

목질탄화물 내의 화학 결합 변화 (Changes of Chemical Bond in Woody Charcoal from Different Carbonization Temperatures)

  • 조태수;이오규;최준원;조성택;김석권
    • Journal of the Korean Wood Science and Technology
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    • 제37권1호
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    • pp.87-93
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    • 2009
  • 목재의 탄화과정에서 일어나는 화학적 변화를 알아보기 위하여 목탄의 기초물성과 화학결합양식의 변화를 조사하였다. 탄화온도 증가에 따른 pH 변화에 있어서는, $300^{\circ}C$와 같이 낮은 온도에서 탄화한 탄화물의 pH는 약산성 또는 중성에 가까우나, $600^{\circ}C$ 이상에서 탄화한 고온탄화물의 pH는 알칼리성을 띠는 것으로 나타났다. 또한 탄화온도가 증가하여 탄화정도가 더욱 진행되면, 탄재 내의 탄소함량이 증가하고, 수소와 산소함량이 감소하였으며, 이러한 경향은 $600^{\circ}C$까지의 탄화에서 현저하게 나타났으나, $600^{\circ}C$ 이상의 탄화온도에서는 그 변화가 완만하였다. 탄화온도가 높아짐에 다라 C-C 결합 비율이 증가하고, C-O-H 또는 C-O-R 결합 비율이 감소하는 경향이 뚜렷이 나타났다. 이는 C-O-H 등 산소를 포함한 결합이 분해되어 C-C결합 비율이 높아지고, 이는 새로운 관능기의 생성과도 관련되는 것으로 추정된다. 또한 탄화 온도의 상승에 따라 C=O결합 등의 비율이 다소 증가 또는 감소하는 것으로 보아, 일부는 분해, 생성, 재결합 등의 과정을 거치는 것으로 판단된다. 목탄의 이와 같은 화학적 변화에 대한 인식은 세공 특성 등 물리적인 파라메타만으로 흡착성을 이해하려고 할 때 발생하는 한계를 극복할 수 있는 사고가 되며, 또한 목탄의 성능개선과 신용도 개발의 기초가 될 것으로 생각된다.

C-H…H-Fe Dihydrogen 결합: $trans-[FeH(NCS(i-Pr)-S)(dppe)_2]I$ 착물의 합성 및 구조 (C-H…H-Fe Dihydrogen Bonding: Synthesis and Structure of $trans-[FeH(NCS(i-Pr)-S)(dppe)_2]I$ $(dppe=Ph_2PCH_2Ch_2PPh_2)$)

  • 이지화;이순원
    • 한국결정학회지
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    • 제11권1호
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    • pp.10-15
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    • 2000
  • Compound trans-[FeH(NCS(i-Pr)-S)(dppe)₂](1) reacted with isopropyl iodide (i-PrI) to give an Fe(II)-organic isothiocyanide complex, trans-[FeH(NCS(i-Pr)-S)(dppe)₂]I (2). Compound 2 was structurally characterized, in which the hydride ligand appears to be involved in the "dihydrogen" bonding, M-H…H-C. Crystallographic data for 2: monoclinic space group P2₁/n, a=13.490(2)Å, b=17.269(3)Å, c=21.384(3)Å, β=90.682(7)°, Z=4, R(wR₂)=0.0348(0.0894).

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Ti-3Al-2.5V 튜브의 초소성 하이드로포밍과 확산접합으로 제조된 T형 구조물의 접합 특성 분석 (Analysis of Bonding Characteristics of a T-shape Structure Fabricated by Superplastic Hydroforming and Diffusion Bonding using two Ti-3Al-2.5V tubes)

  • 유영훈;이상용
    • 열처리공학회지
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    • 제31권2호
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    • pp.49-55
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    • 2018
  • A T-shape structure was manufactured by the superplastic forming and diffusion bonding process using two Ti-3Al-2.5V alloy tubes. A Ti-3Al-2.5V tube was prepared for the hydroforming in the superplastic condition until it reaches a surface area such as a roof welded in the hole of another Ti-3Al-2.5V tube. Afterward, the superplastic forming process and the diffusion bonding process were carried out simultaneously until the appropriate bonding along the interface area of two Ti-3Al-2.5V tubes was obtained. The bonding qualities were different at each location of the entire interface according to the applied process conditions such as strain, pressure, temperature, holding time, geometries, etc. The microstructures of bonding interface have been observed to understand the characteristics of the applied processes in this study.

아세틸렌 플라스마를 이용한 다이아몬드성 탄소 박막의 제작 및 특성 (Preparation and Investigation of Characteristics of Diamond-like Carbon Thin Films by Acetylene Plasma)

  • 육도진;강성수;이원진
    • 한국안광학회지
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    • 제3권1호
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    • pp.1-8
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    • 1998
  • 지주파 PECVD 방법으로 아세틸렌 분암비를 달리하면서 제작한 비정질 탄소 박막에서의 분광 특성을 조사하였다. Raman 분광으로부터 D 피크와 G 피크의 상대적인 세기로부터 $sp^3/sp^2$은 수소함량에 대한 경향성을 알 수가 있었으며, FTIR 분광으로부터 계산된 수소함량은 16~37 atm %, $sp^3/sp^2$d,s 0.22~1.44로 변화하였다. 이와 같은 분광특성에 의하여 최적의 아세틸렌 분압비는~15%임을 알 수가 있었다.

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금속-도재관용 Ni-Cr 합금의 표면산화물특성에 따른 전단결합강도 관찰 (Shear Bonding Strength by the Characteristic of Metal Oxidation on the Surface of Ni-Cr Alloy for Porcelain Fused Metal Crown)

  • 정인성;김치영
    • 대한치과기공학회지
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    • 제35권4호
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    • pp.359-364
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    • 2013
  • Purpose: This study was to observe characteristic of metal oxidation and bonding strength according to composition of Ni-Cr alloy for porcelain fused to metal crown. The three kinds of Ni-Cr alloy with different composition ratio of parent metal were observed general properties and chemical properties of each alloy surface and measured the shear bonding strength between ceramic and each alloys. The aim of study was to suggest the material for design of parent metal's composition ratio to development of alloy for porcelain fused to metal crown. Methods: The three kinds of alloy as test specimen was Ni(59wt%)-Cr(24wt%), Ni(67wt.%)-Cr(16wt.%) alloy and Ni(71wt%)-Cr(12wt%)alloy. The oxide on surface was observed by EDX. And the shear test was performed by MTS. Results: The surface property and oxide characteristic analysis of oxide layer, weight percentage of Element O within $Ni_{59}Cr_{24}$ alloy measured 23.03wt%, $Ni_{67}Cr_{16}$ alloy measured 21.13wt% and $Ni_{71}Cr_{12}$ alloy was measured 48.55wt%. And the maximum shear bonding strength was measured 58.02Mpa between $Ni_{59}Cr_{24}$ alloy and vintage halo(H2 group). Conclusion: The surface property and oxide characteristic three kind of Ni-Cr alloy was similar. and shear bonding strength showed the highest bonding strength in H2 specimens.