• Title/Summary/Keyword: H atoms

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Competitive Photochlorination Reactions of Silane, di-Chloro and tri-Chlorosilanes at 337.1 nm

  • Jung, Kyung-Hoon;Jung, Kwang-Woo
    • Bulletin of the Korean Chemical Society
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    • v.8 no.4
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    • pp.242-246
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    • 1987
  • The hydrogen abstraction reactions of $SiH_4, SiH_2Cl_2 \;and\; SiHCl_3$ by ground state chlorine atoms generated photochemically from chlorine molecules have been studied at temperatures between 15 and $100^{\circ}C.$ The absolute rates for the reactions have been obtained by a competition technique using ethane as a competitor. The rate expressions ($in cm^3/mol/s$) are found to conform to an Arrhenius rate law: $k_{SiH_4} = (7.98 {\pm} 0.42) {\times} 10^{13}$ exp $[-(1250 {\pm}20)/T].$ $k_{SiH_2Cl_2} = (2.25 {\pm} 0.12) {\times} 10^{15}$ exp[-(1010 ${\pm}$ 10)/T]. $k_{SiHCl_3} = (9.04 {\pm} 0.28) {\times} 10^{14}\; exp[-(1200 {\pm} 10)/T].$ The activation energies obtained from this study represent the same trend as with the carbon analogues, while this trend was not found with respect to the bond dissociation energies among silicon compound homologues. These anomalous behaviors were interpreted in terms of electronic effects and of the structural differences between these compounds.

Synthesis and Spectroscopic Studies of Metal Complexes Formed in the Reaction of Metal Ions with Urea at High Temperature (높은 온도에서 Urea와 금속이온과의 반응으로 얻어진 금속 Complexes의 합성과 분광학적 연구)

  • Gaballa, Akmal S.;Teleb, Said M.;Nour, El-Metwally
    • Journal of the Korean Chemical Society
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    • v.51 no.4
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    • pp.339-345
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    • 2007
  • Urea reacts with PtCl2, H2[PtCl6]·6H2O, H2[IrCl6] and Ni(CH3CO2)2 in aqueous solution at high temperature (60-80 °C) yielding [PtCl2(Urea)]·2H2O (1), (NH4)2[PtCl6] (2), (NH4)2[IrCl6]·H2O (3) and [Ni2(OH)2(NCO)2(H2O)2] (4) complexes, respectively. In complex 1, urea coordinates to Pt(II) as a neutral bidentate ligand via amido nitrogen atoms. In complexes 2, 3 and 4 it seems that the coordinated urea molecules decompose during the reaction at high temperature and a variety of reaction products are obtained. All complexes were isolated in moderate yields as dark green (1), yellow (2), pale brown (3) and faint green (4) precipitates, respectively. The reaction products were characterized by their microanalysis, IR, 1H and 13C NMR spectra as well as thermal analysis. General mechanisms describing the formation of these complexes were suggested.

Formation of Zn(II) Complexes of Physiological Buffer Amino alcohols in Aqueous Solution (수용액 중에서 생리학적 완충제 아미노 알코올과 Zn(II) 이온과의 착물 형성)

  • Hong, Kyung-Hee;Chun, Yong-Jin
    • Journal of the Korea Academia-Industrial cooperation Society
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    • v.16 no.11
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    • pp.7555-7563
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    • 2015
  • The complex formation from Zn(II) ion and 2-(2-hydroxyethylamino)-2-(hydroxymethyl)-1,3-propanediol (Monotris), Bis(2-hydroxyethyl)imino-tris(hydroxymethyl)methane(Bistris) in aqueous solution at $25^{\circ}C$ and at an ionic strength of 0.10 M have been studied potentiometrically. For the Zn(II)-Monotris system, in the Monotris (L) complex $ZnL^{2+}$, one of the hydroxyl oxygen atoms as well as the amine nitrogen of the ligand are coordinated. In basic media, the coordinated hydroxyl group is deprotonated. For the Zn(II)-Bistris system, in the Bistris(L) complex $ZnL^{2+}$, two of the hydroxyl oxygen atoms as well as the amine nitrogen of the ligand are coordinated. In basic media, one of the coordinated hydroxyl groups is deprotonated. In very high basic media, an additional hydroxyl group undergoes deprotonation. The equilibrium constants for the formation of $ZnL^{2+}$, $ZnLH_{-1}{^+}$, $ZnLH_{-2}$, $Zn_2L_2H_{-2}{^{2+}}$ and $Zn_2L_2H_{-3}{^+}$ have been determined.

Synthesis of Linear 1,2-Alkylaminopropanediols as Preservatives and Antimicrobial Activity (보존제로서 선형 1,2-알킬아미노프로판디올의 합성과 항균활성)

  • Cha, Kyung-On;Kwak, Sang-Woon;Jeong, Kook-In;Kim, Young-Ho
    • Applied Chemistry for Engineering
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    • v.33 no.4
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    • pp.394-401
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    • 2022
  • The synthesis of 1,2-alkylaminopropanediols (1,2-AAPs) was designed to improve the hydrophilicity of linear 1,2-alkanediols having 10, 12, 14, and 16 carbon atoms in the alkyl chain. 1,2-AAPs were synthesized by reacting 3-monochloro-1,2-propanediol (3-MCPD) with linear alkylamines having 10, 12, 14 or 16 carbon atoms in an ethanol solvent at 40℃ for 2 h. The yield and purity of four types of 1,2-AAPs synthesized were found to be in the range of 51-58% and 85-99%, respectively. The amine salts of four types of 1,2-AAPs were prepared from a purified paste or solid compound by adding an acidic solution (HCl) to pH 7, and then their solubilities and antibacterial effects were tested. 1,2-decylaminopropanediol, 1,2-dodecylaminopropanediol, and 1,2-tetradecylaminopropanediol were all dissolved in water at concentrations of 100%, 50%, and 0.1%, respectively, however 1,2-hexadecylaminopropanediol was not. The antibacterial effect was improved as the length of the alkyl chain increased. As a result of confirming the preservative effect of the lotion (cosmetic formulation) applied with 1,2-AAP for application, it showed very strong antibacterial activity at low concentrations ranging from 0.005% to 0.2%.

First-principles Calculations on Magnetism of 1H/1T Boundary in Monolayer MoS2 (제일원리계산에 의한 단층 MoS2의 1H/1T 경계 자성)

  • Jekal, Soyoung;Hong, Soon Cheol
    • Journal of the Korean Magnetics Society
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    • v.26 no.3
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    • pp.71-75
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    • 2016
  • Monolayer $MoS_2$ is energetically most stable when it has a 1H phase, but 1H to 1T phase transition ($1H{\rightarrow}1T$) is easily realized by various ways. Even though magnetic moment is not observed during $1H{\rightarrow}1T$, $0.049{\mu}_B/MoS_2$ is obtained in local 1T phase; 75% 2H and 25% 1T phases are mixed in ($2{\times}2$) supercell. Most magnetic moment is originated from the 1T phase Mo atom in the supercell, while the magnetic moments of other atoms are negligible. As a result, magnetic/non-magnetic boundary is created in the monolayered $MoS_2$. Our result suggests that $MoS_2$ can be applied for spintronics such as a spin transistor.

The Study on Characteristics of a-C:H Films Deposited by ECR Plasma (전자회전공명 플라즈마를 이용한 a-C:H 박막의 특성 연구)

  • 김인수;장익훈;손영호
    • Proceedings of the Korea Society for Industrial Systems Conference
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    • 2001.05a
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    • pp.224-231
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    • 2001
  • Hydrogenated amorphous carbon films were deposited by ERC-PECVD with deposition conditions, such as ECR power, gas composition of methane and hydrogen, deposition time, and substrate bias voltage. The characteristics of the film were analyzed using the AES, ERDA, FTIR. Raman spectroscopy and micro hardness tester. From the results of AES and ERDA, the elements in the deposited film were confirmed as carbon and hydrogen atoms. FTIR spectroscopy analysis shows that the atomic bonding structure of a-C:H film consisted of sp³and sp²bonding, most of which is composed of sp³bonding. The structure of the a-C:H films changed from CH₃bonding to CH₂or CH bonding as deposition time increased. We also found that the amount of dehydrogenation in a-C:H films was increased as the bias voltage increased. Raman scattering analysis shows that integrated intensity ratio (I/sub D//I/sub G/) of the D and G peak was increased as the substrate bias voltage increased, and films hardness was increased.

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Stability Constants of First-row Transition Metal and Trivalent Lanthanide Metal Ion Complexes with Macrocyclic Tetraazatetraacetic and Tetraazatetramethylacetic Acids

  • 홍춘표;김동원;최기영;김창태;최용규
    • Bulletin of the Korean Chemical Society
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    • v.20 no.3
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    • pp.297-300
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    • 1999
  • The protonation constants of the macrocyclic ligands, 1,4-dioxa-7,10,13,16-tetraaza-cyclooctadecane-N,N',N",N"'-tetra(acetic acid) [N-ac4[18]aneN402] and 1,4-dioxa-7,10,13,16-tetraazacyclooctadecane-1,4-dioxa-7,10,13,16-N,N',N",N"'-tetra(methylacetic acid) [N-meac4[18]aneN4O2] have been determined by using potentiometric method. The protonation constants of the N-ac4[18]aneN4O2 were 9.31 for logK1H, 8.94 for logK2H, 7.82 for logK3H, 4.48 for logK4H and 2.94 for logK5H. And the protonation constants of the N-meac4[18]aneN4O2 were 9.34 for logK1H, 9.13 for logK2H, 8.05 for logK3H, 5.86 for logK4H, and 3.55 for logK5H. The stability constants of complexes on the divalent transition ions (Co2+, Ni2+, Cu2+, and Zn2+) and tiivalent metal ions (Ce3+, Eu3+, Gd3+, and Yb3+) with ligands N-ac4[18]-aneN4O2 and N-meac4[18]aneN4O2 have been obtained from the potentiometric data with the aid of the BEST program. The three higher values of the protonation constants for synthesized macrocyclic ligands correspond to the protonation of nitrogen atoms, and the fourth and fifth values correspond to the protonation of the carboxylate groups for the N-ac4[18]aneN4O2 and N-meac4[18]aneN4O2. The meatal ion affinities of the two tetra-azamacrocyclic ligands with four pendant acetate donor groups or methylacetate donor groups are compared. The effects of the metal ions on the stabilities are discussed, and the trends in stability constants resulting from changing the macrocyclic ring with pendant donor groups and acidity of the metal ions.

Electronic Structure and Magnetism of Fe Monolayer with Periodic Defects (주기적 결함을 가진 철 단층의 전자구조와 자성)

  • Landge, Kalpana K.;Bialek, Beata;Lee, Jae-Il
    • Journal of the Korean Magnetics Society
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    • v.19 no.5
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    • pp.161-164
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    • 2009
  • The effect of periodic vacancies to the magnetism of the Fe monolayer was investigated by calculating the electronic structures using the full-potential linearized augmented plane wave method within the GGA approximation. We considered four types of vacancies, point defect, I type, + type, and H type which are consisted of one, three, five and seven vacant sites, respectively. We found that the Fe atoms nearest to the vacancy have the largest magnetic moment in each system, and the value of magnetic moment of the atom was increased as the number of vacancy site is increased. The value of the largest magnetic moment in the systems of point defect, I type, + type, and H type are 3.08, 3.09, 3.15, and 3.30 bohr magnetons, respectively.

Comparative modeling of human tyrosinase - An important target for developing skin whitening agents (사람 티로시나제의 3차원 구조 상동 모델링)

  • Choi, Jong-Keun;Suh, Joo-Won
    • Proceedings of the KAIS Fall Conference
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    • 2012.05a
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    • pp.182-186
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    • 2012
  • human tyrosinase (hTyr) catalyzes first and the rate limiting step in the synthesis of polymerized pigment, melanin which determines skin, hair and eye colors. Mutation of hTyr often brings about decrease of melanin production and further albinism. Meanwhile, a number of cosmetic companies providing skincare products for woman in Asia-Pacific region have tried to develop inhibitors to bright skin color for several decades. In this study, we built a 3D structure by comparative modeling technique based on the crystal structure of tyrosinase from bacillus megaterium as a template to serve structural information of hTyr. According to our model and sequence analysis of type 3 copper protein family proteins, two copper atoms of active site located deep inside are coordinated with six strictly conserved histidine residues coming from four-helix-bundle. Cavity which accommodates substrates was like funnel shape of which entrance was wide and expose to solvent. In addition, protein-substrate and protein-inhibitor complex were modeled with the guide of van der waals surface generated by in house software. Our model suggested that only phenol group or its analogs can fill the binding site near nuclear copper center because inside of binding site has narrow shape relatively. In conclusion, the results of this study may provide helpful information for designing and screening new anti-melanogensis agents.

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Synthesis and Surface Active Properties of Amphoteric Surfactant Derivatives(I);Synthesis of N-Alkyl or Acyl Hydroxy sulfobetaines (양쪽성 이온 계면활성제의 유도체합성 및 계면성에 관한 연구(제1보);N-알킬 혹은 아실히드록시 술포베타인류의 합성)

  • Lee, J.H.;Ha, J.W.;Park, H.J.;No, Y.C.;Nam, K.D.
    • Journal of the Korean Applied Science and Technology
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    • v.11 no.1
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    • pp.71-77
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    • 1994
  • In order to review industrial application of amphoteric surfactants, new types of hydroxy sulfobetaine, 3-(N, N-dimethyl N-dimethyl-N-alkylammonio)-2-hydroxy-1-propane sulfonate and 3-(N, N-dimethyl N-acylammonio)-2-hydroxy-1-propane sulfonate were prepared by the reaction of quaternized sodium 1-chloro-2-hydroxy-3-propane sulfonate with N, N-dimethyl-N-alkylamine and N, N-dimethyl N-acylamido propylamine that have a straight chain radical of 12, 18 carbon atoms respectively in the presence of alkali catalyst. All the reaction products could be separated by means of column and thin layer chromatography, and the yields of all products ranged in $85{\sim}90%$, the structure of them could be confirmed from IR and $^{1}H$-NMR spectra.