• Title/Summary/Keyword: H-bonding

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[$^{13}C-NMR$ of the Phenolic Compounds

  • Ahn, Byung-Zun
    • Korean Journal of Pharmacognosy
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    • v.11 no.3_4 s.43
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    • pp.153-162
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    • 1980
  • 1) The hydroxy-substitution in the simple phenolic compounds follows an additivity rule in the chemical shifts of their aromatic carbon atoms. In para-and ortho-effects is a good agreement between calculated and measured values, but the meta-effect is not certain. 2) The additivity rule was applied to assign the chemical shifts of catechins. 3) The nuclear overhauser effect was applied to assign the chemical shifts of C-8 and C-6 atoms of catechins and their polymer. The signal of C-8 is lower in intensity and appear in lower field than C-6. 4) The results of the NOE were applied to determine the bonding positions of catechin units in the catechin dimer and trimer. The bonding positions are C-8a and C-8b atoms of the second and third catechin units. 5) It was tried to determine the conformation of the catechin dimer and trimer by analysing the signal shapes of C-3' and C-4' atoms in the catechol moieties. The catechol moieties lie in opposite side in the dimer and trimer structure. A combined analysis of $^{13}C-and\;^1H-NMR$ results lead to the suggestion that such a catechin polymer is a zigzag planar form.

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The Characteristics of Residual Films on Silicon Surface $CHF_3/C_2F_6$ Reactive Ion Etching ($CHF_3/C_2F_6$ 플라즈마에 의한 실리콘 표면 잔류막의 특성)

  • 권광호;박형호;이수민;강성준;권오준;김보우;성영권
    • Journal of the Korean Vacuum Society
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    • v.1 no.1
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    • pp.145-152
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    • 1992
  • Si surfaces exposed to CHF3/C2F6 gas plasmas ih reactive ion etching (RIE) have been characterized by X-ray photoelectron spectroscopy (XPS). CHF3/C2F6 gas plasma exposure of Si surface leads to the deposition of residual film containing carbon and fluorine. The narrow scan spectra of C 1s show various bonding states of carbon as C-Si, C-F/H, C-CFx(x $\leq$ 3), C-F, C-F2, and C-F3. The chemical bonding states of fluorine are described with F-Si, F-C and F-O. And the oxygen and silicon are also detected. The effects of parameters for reactive ion etching as CHF3/C2F6 gas ratio, RF power, and pressure are investigated.

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A Study on the Shear Deformation Behavior of Inner Structure-Bonded sheet metal (접합판재의 전단 변형거동에 관한 연구)

  • Kim J. Y.;Kim J. H.;Chung W. J.;Yang D. Y.
    • Proceedings of the Korean Society for Technology of Plasticity Conference
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    • 2004.11a
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    • pp.33-38
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    • 2004
  • In order to improve the quality of the sheared surface in cutting of inner structure bonded sheet metal the cut-off operation is mainly investigated, which is the typical shearing process in sheet metal forming technology. The sandwich sheet metals considered have inner structure which is constructed in the form of crimped expanded metal and woven metal. The inner structure is bonded between solid sheet by resistance welding or adhesive bonding. The shearing process is visualized by the computer vision system installed in front of the cut-off die and the sheared surface is measured and quantitatively compared with the help of the optical microscope after cut-off operation. From test results we found that the influence of sheared position can be observed and explained clearly and this result can be utilized to get the better sheared surface.

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Sintering of Silicon Carbide by Reaction Bonding and its Characteristics (Effect of Addition of B4C and Y2O3 in Initial Sintering Precess) (반응소결에 의한 SiC의 소결과 그 특성에 관한 연구 (초기 소결과정에서의 B4C 및 Y2O3의 첨가 영향))

  • 백용혁
    • Journal of the Korean Ceramic Society
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    • v.25 no.6
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    • pp.609-614
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    • 1988
  • This study was carried out to investigate the effects of B4C or Y2O3 additives on the tendency of sintering, $\beta$-SiC synthesis and mineral phase changes by reaction bonding of SiC at 145$0^{\circ}C$. At the sintering temperature of 145$0^{\circ}C$, the additives such as B4C or Y2O3 did not improved porosity and bending strength. Added more than 1.5% of Y2O3, 0.5-0.3% of B4C, the formation of $\beta$-SiC was increased. At higher temperature above 145$0^{\circ}C$, it seems that the bodies added B4C, contained 3C form of SiC were denser than that of Y2O3 added. Because the transition of 3Clongrightarrow4Hlongrightarrow6H promoted sintering.

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Theoretical Study on the Conformations of Homooxacalix[4]arenes

  • Ham, Si-Hyun
    • Bulletin of the Korean Chemical Society
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    • v.25 no.12
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    • pp.1911-1916
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    • 2004
  • The conformational preference of tetrahomodioxacalix[4]arenes with three different para substituents on the phenolic ring has been investigated by using ab initio molecular orbital theory (RHF/6-31$G^{\ast}$) and density functional theory (B3LYP/6-31$G^{\ast}$). The stability order is predicted to be cone > C-1,2-alternate > partial cone > 1,3-alternate > COC-1,2-alternate. The distorted cone conformation is found to be most stable in a gas phase and the calculated results are in agreement with the reported $^1$H NMR and X-ray experimental observations. The substitution of methylene with dimethyleneoxa bridges increases the size of the annulus of the molecule, its conformational mobility, and the number of hydrogen bonding patterns. The thermodynamic stability and the conformational characteristics of tetrahomodioxacalix[4]arenes are discussed in regards of the number of phenolic hydrogen bonding patterns and the polarity of a molecule. The substituent effects on the para position of the phenolic ring are also introduced.

Theoretical Studies of Hydrogen Bond Interactions in Fluoroacetic Acid Dimer

  • Chermahini, Alireza Najafi;Mahdavian, Mohsen;Teimouri, Abbas
    • Bulletin of the Korean Chemical Society
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    • v.31 no.4
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    • pp.941-948
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    • 2010
  • Ab initio and density functional theory methods have been employed to study all theoretically possible conformers of fluoroacetic acid. Molecular geometries and energetic of cis and trans monomers and cis dimers in gaseous phase have been obtained using HF, B3LYP and MP2 levels of theory, implementing 6-311++G(d,p) basis set. It was found that cis rotamers are more stable. In addition, it was found that in comparison with acetic acid the strength of hydrogen bonding in fluoroacetic acid decreased. The infrared spectrum frequencies and the vibrational frequency shifts are reported. Natural population and atom in molecule analysis performed to predict electrostatic interactions in the cyclic H-bonded complexes and charges. The proton transfer reaction is studied and activation energy is compared with acetic acid proton transfer reaction.

Bending and free vibration analysis of a smart functionally graded plate

  • Bian, Z.G.;Ying, J.;Chen, W.Q.;Ding, H.J.
    • Structural Engineering and Mechanics
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    • v.23 no.1
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    • pp.97-113
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    • 2006
  • A simply supported hybrid plate consisting of top and bottom functionally graded elastic layers and an intermediate actuating or sensing homogeneous piezoelectric layer is investigated by an elasticity (piezoelasticity) method, which is based on state space formulations. The general spring layer model is adopted to consider the effect of bonding adhesives between the piezoelectric layer and the two functionally graded ones. The two functionally graded layers are inhomogeneous along the thickness direction, which are approached by laminate models. The effect of interlaminar bonding imperfections on the static bending and free vibration of the smart plate is discussed in the numerical examples.

Preparation of Amorphous Silicon by Sputtering in Silane (사이렌 기체속에서 스펏터한 비정질 규소의 성질)

  • Kim, Ki-Wan
    • Journal of the Korean Institute of Telematics and Electronics
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    • v.16 no.5
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    • pp.34-41
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    • 1979
  • In the work reported here we have sputtered from silicon targets in argon-silane mixtures using undoped n-type and p-type targets. Doped films have been produced, but the doping efficiency is extremely low. It appears that the dopant atoms are able to satisfy their natural valencies and are therefore not electrically active. Infra-red absorption spectroscopy has been used to establish the hydrogen bonding in the films. No correlation has been found between the nature of the hydrogen bonding in the film and the electrical properties.

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Bonding and Elastic Properties in Ti2AC (A = Ga or Tl)

  • Kang, Dae-Bok
    • Journal of the Korean Chemical Society
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    • v.57 no.1
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    • pp.35-39
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    • 2013
  • The chemical bonding and elastic properties of $Ti_2AC$ (A = Ga, Tl) have been investigated by means of extended H$\ddot{u}$ckel tight-binding band structure calculations. The bulk modulus of $Ti_2AC$ decreases as Ga is replaced with Tl at the A sites. This can be understood by considering the relative strength of Ti-A bonds resulting from the different atomic size of 3A-group elements. The analysis of the projected density of states (PDOS) and the crystal orbital overlap population (COOP) for the respective phases shows that Ti-Ga bonds in $Ti_2GaC$ are stronger than Ti-Tl bonds in $Ti_2TlC$.

Lateral Structure Transistor by Silicon Direct Bonding Technology (실리콘 직접접합 기술을 이용한 횡방향 구조 트랜지스터)

  • 이정환;서희돈
    • Proceedings of the Korean Institute of Electrical and Electronic Material Engineers Conference
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    • 2000.07a
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    • pp.759-762
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    • 2000
  • Present transistors which have vertical structure show increased parasitic capacitance characteristics in accordance with the increase of non-active base area and collector area, consequently have disadvantage for high speed switching performance. In this paper, a horizontal structure transistor which has minimized parasitic capacitance in virtue of SDB(Silicon Direct Bonding) wafer and oxide sidewall isolation utilizing silicon trench technology is presented. Its structural characteristics were designed by ATHENA(SUPREM4), the process simulator from SILVACO International, and its performance was proven by ATLAS, the device simulator from SILVACO International. The performance of the proposed horizontal structure transistor was certified through the VCE-lC characteristics curve, $h_{FE}$ -IC characteristics, and GP-plot.

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