• Title/Summary/Keyword: Charge transfer interaction

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A detailed study of physicochemical properties and microstructure of EmimCl-EG deep eutectic solvents: Their influence on SO2 absorption behavior

  • Zhu, Jiahong;Xu, Yingjie;Feng, Xiao;Zhu, Xiao
    • Journal of Industrial and Engineering Chemistry
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    • v.67
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    • pp.148-155
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    • 2018
  • To get a better understanding of the effect of physicochemical properties and microstructure on $SO_2$ absorption behavior of DESs with different molar ratios of EmimCl and EG (from 2:1 to 1:2), densities (${\rho}$), viscosities (${\eta}$), speeds of sound (u), refractive indices ($n_D$), and thermal decomposition temperatures ($T_d$) of EmimCl-EG DESs were measured and used to obtain the other derived properties, such as thermal expansion coefficient (${\alpha}_p$) and activation energy for viscous flow ($E_{\eta}$). Moreover, FT-IR spectra and in situ variable-temperature NMR spectroscopy were employed to study the microstructures of DESs. Based on physicochemical and spectroscopic properties, the influence of the concentrations of EmimCl on the interactions in DESs was explored to be associated with their $SO_2$ absorption behavior. The results show that the interactions between $Emim^+$ and $Cl^-$ of EmimCl is gradually weakening with increasing the concentration of EG in DESs by forming of hydrogen bond interaction of $O-H{\cdots}Cl^-$, resulting in a decrease of ${\rho}$, ${\eta}$, u, $n_D$, and $T_d$ of DESs, and hindering the charge-transfer interaction of $SO_2$ with $Cl^-$ and deceasing $SO_2$ capture capacity. Moreover, the $SO_2$ absorption capacity of DESs is proportional to their ${\rho}$ and $E_{\eta}$, respectively.

The Electrochemical Characteristics and Secondary Doping Effects of Poly[Sodium 4-Styrenesulfonate] Doped Polyaniline (폴리아닐린의 이차도핑과 전기화학적 특성)

  • Park, Jong-Ho;Lee, Sang-Hun;Kim, Ji-Yun;Joe, Yung-Il
    • Korean Chemical Engineering Research
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    • v.40 no.6
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    • pp.729-734
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    • 2002
  • In this study, the polyaniline films of emeraldine base(EB) and lucoemeraldine base(LEB) form chemically doping with poly(sodium-4 styrenesulfonate, PSS) were prepared by casting the mixed solution of chloroform and m-cresol on ITO(indium tin oxide) electrode. By analyzing UV-vis spectra of the mixed solutions, the effects of the secondary doping by m-cresol were obtained. And the conductivity of polyaniline film was increased with increasing m-cresol content. The results suggest that the improvement of conductivity obtained by secondary doping results primarily from interaction of polyaniline and m-cresol. As the results of analyzing cyclic voltammograms, it was known that the redox peak currents of polyaniline electrode prepared from LEB were larger and more reversible than those of polyaniline electrodes prepared from EB. The charge transfer resistances($R_{ct}$) of polyaniline electrodes were reduced with increasing m-cresol content, and LEB/PSS electrodes were smaller than EB/PSS electrodes. This result agrees to the analysis of the redox peak current of cyclic voltammograms. The solution resistance and the capacity of electrical double layer almost unchanged in all prepared polyaniline electrodes. It was confirmed that solution resistance was independent of frequency factor in AC impedance spectra. Also the polyaniline film doping with PSS was revealed pseudo n-type characteristics of conducting polymer.

Synthesis and Anaiysis of Photohnninescence Properties of $^5D_1$$^7F_1$ Transition in $LaGaO_3$:$Eu^{3+}$ Red Phosphor ($LaGaO_3$:$Eu^{3+}$형광체의 합성 및 발광 특성)

  • Kim, Kyoung Hwa;Choi, Yoon Young;Sohn, Kee Sun;Kim, Chang Hae;Park, Hee Dong;Choe, Se Young
    • Journal of the Korean Chemical Society
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    • v.44 no.5
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    • pp.453-459
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    • 2000
  • FED has deserved an intensive attentioD as a new flat panel display. The present investigationaims at undemtanding the photoluminescence and cathodoluminescent properties of hGaO$_3$: $Eu^{3+}$ phosphor bytaking into account the possibility that this phosphor could be applied for FED. In onler to investigate on.sucha detailed behavior; 8everM experimental skil18 Je conducted to the LaGaO$_3$:$Eu^{3+}$ phosphoL The excimtion srectrum artd emission spectmn were rnezsured in the UV range and then decay curve of $^5D_0$+$^7F_j$transitions\vas examined. The decay behavior of $^5D_0$ emission was anMyzed by a newly Iuoposed cross-relaxation mech-ani8In in asswiation with inteFwnter di1ffision (or migration). The cross-mlaxation from $^5D_0$ to CTB (Cha'geTransfer Band) wuld be a quite retsonable by considering the excitation spectrum. It could be also found thatthe quenching type was changed from ditfrsion controlled process to the direct quenching process -s inJeasing $Eu^{3+}$ oncntration.

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DETECTABILITY OF SUNGRAZING COMET SOFT X-RAY IRRADIANCE (SUNGRAZING 혜성이 방출하는 X-선 관측 가능성에 관한 연구)

  • Oh, Su-Yeon;Yi, Yu;Nah, Ja-Kyoung;Kim, Yong-Ha
    • Journal of Astronomy and Space Sciences
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    • v.24 no.4
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    • pp.309-314
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    • 2007
  • Originating from the Oort cloud, some comets disappear to impact against the Sun or to split up by strong gravitational force. Then they don't go back to the Oort cloud. They are called sungrazing comets. The comets are detected by sublimation of ices and ejection of gas and dust through solar heat close to the Sun. There exists the charge transfer from heavy ions in the solar wind to neutral atoms in the cometary atmosphere by interaction with the solar wind. Cometary atoms would be excited to high electronic levels and their do-excitation would result in X-ray emission, or it would be scattering of solar X-ray emission by very small cometary grains. We calculated the X-ray emission applying the model suggested by Mendis & Flammer (1984) and Cravens (1997). In our estimation, the sungrazing comet whose nucleus size is about 1 km in radius might be detectable within a distance of 3 solar radius from the sun on soft X-ray solar camera.

The Crystal and Molecular Structure of Theophylline Hydrochloride (Theophylline 鹽酸鹽의 結晶 및 分子構造)

  • Chung Hoe Koo;Hyun So Shin;Sun Suk Oh
    • Journal of the Korean Chemical Society
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    • v.22 no.2
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    • pp.86-94
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    • 1978
  • The crystal and molecular structure of theophylline hydrochloride has been determined from X-ray data by Patterson techniques. The structure has been refined by block-diagonal least-squares and Fourier synthesis on three dimensional data. The unit cell is orthorhombic, space group $P_{na21}$, with a = 14.01, b = 11.49, c = 6.77${\AA}$, and contains four molecules. The final R value based on 743 observed reflexions is 12.2%. The intramolecular distances are similar to those in other compounds containing a purine or pyrimidine group. The molecules are nearly planar and are stacked in layers parallel to the (001)plane. The chlorine atom is coordinated to N(1) atom at a distance of 3.06${\AA}$. The structure is stabilized mainly by van der Waals interactions; however, a short N${\cdot}{\cdot}{\cdot}$Cl contact of length $3.06\AA$, which is slightly less than the expected van der Waals separation, suggest that weak charge transfer interaction may be present. The relationship between this structure and the known structures of theophylline monohydrate and caffeine monohydrate are discussed.

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Competitive Adsorption of CO2 and H2O Molecules on the BaO (100) Surface: A First-Principle Study

  • Kwon, Soon-Chul;Lee, Wang-Ro;Lee, Han-Na;Kim, J-Hoon;Lee, Han-Lim
    • Bulletin of the Korean Chemical Society
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    • v.32 no.3
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    • pp.988-992
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    • 2011
  • $CO_2$ adsorption on mineral sorbents has a potential to sequester $CO_2$. This study used a density functional theory (DFT) study of $CO_2$ adsorption on barium oxide (BaO) in the presence of $H_2O$ to determine the role of $H_2O$ on the $CO_2$ adsorption properties on the ($2{\times}2$; $11.05\;{\AA}{\times}11.05\;{\AA}$) BaO (100) surface because BaO shows a high reactivity for $CO_2$ adsorption and the gas mixture of power plants generally contains $CO_2$ and $H_2O$. We investigated the adsorption properties (e.g., adsorption energies and geometries) of a single $CO_2$ molecule, a single $H_2O$ molecule on the surface to achieve molecular structures and molecular reaction mechanisms. In order to evaluate the coordinative effect of $H_2O$ molecules, this study also carried out the adsorption of a pair of $H_2O$ molecules, which was strongly bounded to neighboring (-1.91 eV) oxygen sites and distant sites (-1.86 eV), and two molecules ($CO_2$ and $H_2O$), which were also firmly bounded to neighboring sites (-2.32 eV) and distant sites (-2.23 eV). The quantum mechanical calculations show that $H_2O$ molecule does not influence on the chemisorption of $CO_2$ on the BaO surface, producing a stable carbonate due to the strong interaction between the $CO_2$ molecule and the BaO surface, resulting from the high charge transfer (-0.76 e).

Syntheses, Structures and Luminescent Properties of Two Novel M(II)-Phen-SIP Supramolecular Compounds (M = Co, Ni)

  • Zhu, Yu-Lan;Shao, Shuai;Ma, Kui-Rong;Tang, Xue-Ling;Cao, Li;Zhao, Hui-Chao
    • Bulletin of the Korean Chemical Society
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    • v.33 no.4
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    • pp.1259-1263
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    • 2012
  • Two metal compounds, $[Co(phen)_2(H_2O)_2]{\cdot}2H_2SIP{\cdot}2H_2O$ 1 and $[Ni(phen)_3]{\cdot}2H_2SIP{\cdot}3H_2O$ 2, have been obtained by incorporating 1,10-phenanthroline (phen) and 5-sulfoisophthalic acid monosodium salt ($NaH_2SIP$) ligands under hydrothermal conditions. Meanwhile, the two compounds were characterized by element analysis, IR, XRD, TG-DTA and single-crystal X-ray diffraction. Both 1 and 2 present 3D supramolecular structures via O-H${\cdots}$O hydrogen bond interactions. Luminescent properties for 1 and 2 were also studied. The compound 1 has two fluorescence emission peaks centered at 398 nm attributed to the intraligand emission from the SIP ligand and at 438 nm assigned to the combined interaction of intraligand ${\pi}^*-{\pi}$ transitions of the phen ligand and ligand-to-metal-charge-transfer (LMCT) transitions (${\lambda}_{ex}$ = 233 nm). The compound 2 shows one emission band centered at 423 nm with a shoulder peak at 434 nm which may be originated from the intraligand ${\pi}^*-{\pi}$ transitions of the phen ligand (${\lambda}_{ex}$ = 266 nm).

Synergistically Enhanced Oxygen Evolution Catalysis with Surface Modified Halloysite Nanotube

  • Hyeongwon Jeong;Bharat Sharma;Jae-ha Myung
    • Journal of Electrochemical Science and Technology
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    • v.14 no.1
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    • pp.96-104
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    • 2023
  • Synergistically increased oxygen evolution reaction (OER) of manganese oxide (MnO2) catalyst is introduced with surface-modified halloysite nanotube (Fe3O4-HNTs) structure. The flake shaped MnO2 catalyst is attached on the nanotube template (Fe3O4-HNTs) by series of wet chemical and hydrothermal method. The strong interaction between MnO2 and Fe3O4-HNTs maximized active surface area and inter-connectivity for festinate charge transfer reaction for OER. The synergistical effect between Fe3O4 layer and MnO2 catalyst enhance the Mn3+/Mn4+ ratio by partial replacement of Mn ions with Fe. The relatively increased Mn3+/Mn4+ ratio on MnO2@FHNTs induced 𝜎* orbital (eg) occupation close to single electron, improving the OER performances. The MnO2@FHNTs catalyst exhibited the reduced overpotential of 0.42 V (E vs. RHE) at 10 mA/cm2 and Tafel slope of (99 mV/dec), compared with that of MnO2 with unmodified HNTs (0.65 V, 219 mV/dec) and pristine MnO2 (0.53 V, 205 mV/dec). The present study provides simple and innovative method to fabricate nano fiberized OER catalyst for a broad application of energy conversion and storage systems.

Raman Spectroscopy Analysis of Graphene Films Grown on Ni (111) and (100) Surface (니켈 (111)과 (100) 결정면에서 성장한 그래핀에 대한 라만 스펙트럼 분석)

  • Jung, Daesung;Jeon, Cheolho;Song, Wooseok;An, Ki-Seok;Park, Chong-Yun
    • Composites Research
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    • v.29 no.4
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    • pp.194-202
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    • 2016
  • A graphene film, two-dimensional carbon sheet, is a promising material for future electronic devices and so on. In graphene applications, the effect of substrate on the atomic/electronic structures of graphene is significant, so we studied an interaction between graphene film and substrate. To study the effect, we investigated the graphene films grown on Ni substrate with two crystal face of (111) and (100) by Raman spectroscopy, comparing with graphene films transferred on $SiO_2/Si$ substrate. In our study, the doping effect caused by charge transfer from Ni or $SiO_2/Si$ substrate to graphene was not observed. The bonding force between graphene and Ni substrate is stronger than that between graphene and $SiO_2/Si$. The graphene films grown on Ni substrate showed compressive strain and the growth of graphene films is incommensurate with Ni (100) lattice. The position of 2D band of graphene synthesized on Ni (111) and (100) substrate was different, and this result will be studied in the near future.

The Job Satisfaction and Turnover Intention of Emergency Medical Technician in the Private Ambulance Service (응급환자이송업에 종사하는 응급의료종사자의 직무만족도와 이직의도)

  • Kim, Mi-Sook;Lee, Kyoung-Youl
    • The Korean Journal of Emergency Medical Services
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    • v.16 no.1
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    • pp.65-80
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    • 2012
  • Purpose: The objective of this study was to assess the job satisfaction and turnover intention of the emergency medical technicians (EMT) in the private ambulance service, to examine their job satisfaction and turnover intention, and to provide the solution for the management of the private ambulance service. Methods: The survey was conducted with 121 EMTs (73 paramedics, 36 basic EMTs and 12 nurses) in the private ambulance service in Korea from September 15 to October 14, 2011. In the reliability of the questionnaire, Cronbach's ${\alpha}$ was 0.790 for job satisfaction and 0.796 for turnover intention. Using SPSS 18.0, we obtained Cronbach's ${\alpha}$, frequencies, percentages, means, and standard deviations, and performed independent t-tests, ANOVA, and Pearson's correlation analysis. Results: 1) The mean score with regard to job satisfaction was 2.94 and that of their turnover intention was 4.23. In the area of job satisfaction, the mean score of the job demand area was 4.23; 3.97 for the job itself; 3.07 for the area of interaction; 2.98 for the area of autonomy: 2.67 for the organizational demand area; 2.67 for working conditions area; and 1.73 for the wage area. 2) Statistically significant difference was observed in job satisfaction according to age (F=3.819, p=.006), wages (t=-4.640, p=.000), terms of incumbency (F=3.868, p=.011), and in turnover intention it was according to sex (t=-1.995 p=.048), age (F=9.611, p=.000), education levels (F=6.974, p=.002), marital status (t=4.393, p=.000), wages (t=5.515, p=.000), license types (F=8.481, p=.001), and terms of incumbency ( F=14.115, p=.000). 3) The job satisfaction and the turnover intention had a negative correlation to each other (r=-.56, p<.000) in general, and in the sub-7 areas of job satisfaction, the correlation with turnover intention was high in order of the wage area (r=-.61, p=.000), working conditions area (r=-.52, p=.000), the area of autonomy (r=-.49, p=.000), the area of interaction (r=-.45, p=.000), the organizational demand area (r=-.40, p=.000), the job itself (r=-.24, p=.007) and the job demand area (r=-.24, p=.009). Conclusion: The government must take the charge of lowering the turnover intention among paramedics in the private ambulance service by providing the advantage in wages and fringe benefits. Ultimately, this would bring an improvement in the quality of medical emergency services to hospitals especially in the area of patient transfer and transportation.