• Title/Summary/Keyword: $C_2$ Dissociation

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Study of 8-Hydroxyquinoline Derivatives. The Acid Dissociation Constants of 5-Acetyl-8-Hydroxyquinoline (8-Hydroxyquinoline 誘導體에 關한 硏究 5-Acetyl-8-Hydroxyquinoline의 酸解離定數)

  • Lee, Dong-Hyung
    • Journal of the Korean Chemical Society
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    • v.9 no.1
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    • pp.33-36
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    • 1965
  • Acid dissociation constants of 5-acetyl-8-hydroxyquinoline have been determined by spectrophotometric and potentiometric methods at $25^{\circ}C$. $pK_1$, $pK_2$ values obtained by potentiometric method were 4.56, 8.20 respectively and $pK_1$ obtained by spectrophotometric method was 4.21. pK values were lower than those of 8-hydroxyquinoline. The lower basicity of 5-acetyl-8-hydroxyquinoline compared with 8-hydroxyquinoline was considered as the result of the electronic attraction of the acetyl group with aromatic ring.

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Studies on the Dissociation Constants of Benzoic Acids in Ethanol-Water Mixtures by Conductometric Method (에탄올-물 혼합용매에서 전도도법에 의한 벤조산의 해리상수에 관한 연구)

  • Min Soo Cho;Soon Ki Lee;Lee, Gye Su
    • Journal of the Korean Chemical Society
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    • v.25 no.2
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    • pp.67-74
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    • 1981
  • The dissociation constants of benzoic acid, p-methoxybenzoic acid and p-nitrobenzoic acid have been determined at $25^{\circ}C$ in ethanol-water mixtures containing 0, 10, 20, 30, 40, 50, 65 and 80 weight % ethanol by the direct conductance measurements and the method involving titration of the acid sample with perchloric acid reagent. The results by the two methods have been discussed and compared with those by other methods.

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Thr Adsorption and Decomposition of NO on a Stepped Pt(111) Surface

  • Lee, S. B.;Kang, D. H.;Park, C. Y.;Kwak, H. T.
    • Bulletin of the Korean Chemical Society
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    • v.16 no.2
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    • pp.157-163
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    • 1995
  • The adsorption and decomposition of NO on a stepped Pt(111) surface have been studied using thermal desorption spectroscopy and Auger electron spectroscopy. NO adsorbs molecularly in two different states of the terrace and the step, which are distinguishable in thermal desorption spectra. NO dissociates via a bent species at the step sites on the basis of vibrational spectrum data reported previously. The dissociation of NO is an activation process : the activation energy is estimated to be about 2 kcal/mol. Increase in the NO dissociation with adsorption temperature is explained by a process controlled by diffusion of the dissociated atomic nitrogen from the step to the terrace of the surface. In addition to NO and N2, the desorption peak of N2O is observed. We conclude that the formation of N2O is attributed to surface reaction of NO and N adsorbed on the surface.

Synthesis of New Nitrogen-Oxygen(N3O2) Pentadentate Ligands and the Substituent Effect on the Stability Constants of the Heavy(II) Metal Complexes (새로운 질소-산소(N3O2)계 다섯 자리 리간드의 합성과 중금속(II) 이온들의 착물 안정도상수에 대한 치환기효과)

  • Kim, Sun-Deuk;Lee, Hye-Won;Seol, Jong-Min
    • Journal of Environmental Science International
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    • v.19 no.7
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    • pp.849-860
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    • 2010
  • A new $N_3O_2$ pentadentate ligand, N,N'-Bis(2-hydroxybenzyl)-ethylenetriamine(H-BHET 3HCl) was synthesized. The hydrochloric acid salts of Br-BHET 3HCl, Cl-BHET 3HCl, $CH_3O$-BHET 3HCl and $CH_3$-BHET 3HCl containing Br-, Cl-, H-, $CH_3O-$ and $CH_3-$ groups at the para-site of the phenol group of the H-BHEP were synthesized. The structures of the ligands were confirmed by C. H. N. atomic analysis and $^1H$ NMR, $^{13}C$ NMR, UV-visible and mass spectra. The calculated stepwise protonation constants(${\logK_n}^H$) of the synthesized $N_3O_2$ ligands showed six steps of the proton dissociation. The orders of the overall protonation constants($\log{\beta}_p$) of the ligands were Br-BHET < Cl-BHET < H-BHET < $CH_3O$-BHET < $CH_3$-BHET. The orders agreed well with that of para Hammett substituent constants(${\delta}_p$). The calculated stability constants($\logK_{ML}$) between the ligands and heavy metal ions (Co(II), Ni(II), Cu(II), Zn(II), Cd(II) and Pb(II)) agreed well with the order of the overall proton dissociation constants of the ligands but they showed a reverse order in para Hammestt substituent constants(${\delta}_p$). The order of the stability constants between the heavy metal ions with the synthesized ligands were Co(II) < Ni(II) < Cu(II) > Zn(II) > Cd(II) > Pb(II).

Study on Process Parameters for Effective H2 Production from H2O in High Frequency Inductively Coupled Plasma Reactor (고주파유도결합플라즈마 반응기에서 물로부터 수소생성효율을 높이기 위한 공정변수에 대한 연구)

  • Kwon, Sung-Ku;Jung, Yong-Ho
    • Transactions of the Korean hydrogen and new energy society
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    • v.22 no.2
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    • pp.206-212
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    • 2011
  • The effect of process parameters on $H_2$ production from water vapor excited by HF ICP has been qualitatively examined for the first time. With the increase of ICP power, characteristics of $H_2$ production from $H_2O$ dissociation in plasma was divided into 3 regions according to both reaction mechanism and energy efficiency. At the edge of region (II) in the range of middle ICP power, energy effective hydrogen production from $H_2O$ plasma can be achieved. Furthermore, within the region (II) power condition, heating of substrate up to $500^{\circ}C$ shows additional increase of 70~80% in $H_2$ production compared to $H_2O$ plasma without substrate heating. This study have shown that combination of optimal plasma power (region II) and wall heating (around $500^{\circ}C$) is one of effective ways for $H_2$ production from $H_2O$.

Fragmentation Analysis of rIAPP Monomer, Dimer, and [MrIAPP + MhIAPP]5+ Using Collision-Induced Dissociation with Electrospray Ionization Mass Spectrometry

  • Kim, Jeongmo;Kim, Ho-Tae
    • Mass Spectrometry Letters
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    • v.12 no.4
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    • pp.179-185
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    • 2021
  • Collision-induced dissociation (CID) combined with electrospray ionization mass spectrometry (ESI-MS) was used to obtain structural information on rat islet amyloid polypeptide (rIAPP) monomers (M) and dimers (D) observed in the multiply charged state in the MS spectrum. MS/MS analysis indicated that the rIAPP monomers adopt distinct structures depending on the molecular ion charge state. Peptide bond dissociation between L27 and P28 was observed in the MS/MS spectra of rIAPP monomers, regardless of the monomer molecular ion charge state. MS/MS analysis of the dimers indicated that D5+ comprised M2+ and M3+ subunits, and that the peptide bond dissociation process between the L27 and P28 residues of the monomer subunit was also maintained. The observation of (M+ b27)4+ and (M+ y10)3+ fragment ions were deduced to originate from the two different D5+ complex geometries, the N-terminal and C-terminal interaction geometries, respectively. The fragmentation pattern of the [MrIAPP + MhIAPP]5+ MS/MS spectrum showed that the interaction occurred between the two N-terminal regions of MrIAPP and MhIAPP in the heterogeneous dimer (hetero-dimer) D5+ structure.

Dynamics of Br(2Pj) Formation in the Photodissociation of Bromobenzene

  • Paul, Dababrata;Kim, Hyun-Kook;Hong, Ki-Ryong;Kim, Tae-Kyu
    • Bulletin of the Korean Chemical Society
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    • v.32 no.2
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    • pp.659-663
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    • 2011
  • The photodissociation dynamics of bromobenzene near 234 nm has been investigated using a two-dimensional photofragment ion-imaging technique coupled with a state-selective [2+1] resonance-enhanced multiphoton ionization (REMPI) scheme. The nascent Br atoms are produced by the primary C-Br bond dissociation, which leads to the formation of $C_6H_5$ ($\tilde{X}$) and Br($^2P_j$, j = 1/2, 3/2). The observed translational energy distributions have been fitted by a single Boltzmann function and two Gaussian functions. Trimodal translational energy distributions of Br($^2P_j$) have been assigned to the direct/indirect dissociation mechanisms originating from the initially excited $^3({\pi},{\pi}^*)$ state. The assignments have been confirmed by the recoil anisotropy and distribution width corresponding to the individual components.

DFT Studies on Two Novel Explosives Based on the Guanidine-Fused Bicyclic Structure

  • Jin, Xing-Hui;Hu, Bing-Cheng;Jia, Huan-Qing;Liu, Zu-Liang;Lu, Chun-Xu
    • Bulletin of the Korean Chemical Society
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    • v.35 no.4
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    • pp.1043-1049
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    • 2014
  • Density functional theory (DFT) calculations at the B3LYP/6-31G(d,p) theoretical level were performed for two novel explosives (compounds B and C) based on the guanidine-fused bicyclic skeleton $C_4N_6H_8$ (A). The heats of formation (HOFs) were calculated via isodesmic reaction. The detonation properties were evaluated by using the Kamlet-Jacobs equations. The bond dissociation energies (BDEs) for the thermolysis initiation bond were also analyzed to investigate the thermal stability. The results show that the compounds have high positive HOF values (B, 1064.68 $kJ{\cdot}mol^{-1}$; C, 724.02 $kJ{\cdot}mol^{-1}$), high detonation properties (${\rho}$, D and P values of 2.04 $g{\cdot}cm^{-3}$ and 2.21 $g{\cdot}cm^{-3}$, 9.98 $km{\cdot}s^{-1}$ and 10.99 $km{\cdot}s^{-1}$, 46.44 GPa and 59.91 Gpa, respectively) and meet the basic stability requirement. Additionally, feasible synthetic routes of the these high energy density compounds (HEDCs) were also proposed via retrosynthetic analysis.

Determination of the Kinetic Energy Release Originating from the Reverse Critical Energy in Unimolecular ion Dissociation

  • Yeh, In-Chul;Lee, Tae-Geol;Kim, Myung-Soo
    • Bulletin of the Korean Chemical Society
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    • v.15 no.3
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    • pp.241-245
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    • 1994
  • A method has been developed to estimate the kinetic energy release originating from the reverse critical energy in unimolecular ion dissociation. Contribution from the excess energy was estimated by RRKM theory, the statistical adiabatic model and the modified phase space calculation. This was subtracted from the experimental kinetic energy release distribution (KERD) via deconvolution. The present method has been applied to the KERDs in $H_2$, loss from $C_6H_6^+$ and HF loss from ${CH_2CF_2}^+$. In the present formalism, not only the energy in the reaction coordinate but also the energy in some transitional vibrational degrees of freedom at the transition state is thought to contribute to the experimental kinetic energy release. Details of the methods for treating the transitional modes are found not to be critical to the final outcome. For a reaction with small excess energy and large reverse critical energy. KERD is shown to be mainly governed by the reverse critical energy.

Influence of Sample Preparation on Thermogravimetric Analysis of Poly(Ethylene-co-Vinyl Acetate)

  • Lee, Sang-jin;Choi, Sung-Seen
    • Elastomers and Composites
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    • v.51 no.3
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    • pp.206-211
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    • 2016
  • Experimental error sources for thermogravimetric analysis (TGA) of poly(ethylene-co-vinyl acetate) (EVA) were investigated and sample preparation method to reduce the experimental error was suggested. Maximum dissociation temperatures of EVA for the first and second dissociation reactions ($T_{m1}$ and $T_{m2}$, respectively) were measured. By decreasing the weight of raw EVA, the $T_{m1}$ increased but the the $T_{m2}$ decreased. When weight of the raw EVA was over 10 mg, the TGA curve showed abnormal behaviors. The abnormal TG behaviors were explained by gathering and instantaneous evaporation of acetic acid formed by deacetylation of the VA unit. When TGA analysis of EVA was performed using untreated (raw) EVA, the experimental errors were about 1%. In order to eliminate the abnormal TG behaviors and to reduce the experimental errors, EVA film made by solvent casting was used. For the treated EVA (EVA film), the abnormal TG behaviors did not appear, the $T_{m1}$ decreased by about $2^{\circ}C$ but the $T_{m2}$ increased by about $6^{\circ}C$, and the experimental errors were reduced by 0.5%.