• Title/Summary/Keyword: OH stretching

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Influence of Thermal Annealing on the Microstructural Properties of Indium Tin Oxide Nanoparticles

  • Kim, Sung-Nam;Kim, Seung-Bin;Choi, Hyun-Chul
    • Bulletin of the Korean Chemical Society
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    • v.33 no.1
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    • pp.194-198
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    • 2012
  • In this work, we studied the microstructural changes of ITO during the annealing process. ITO nanoparticles were prepared by the sol-gel method using indium tin hydroxide as the precursor. The prepared sample was investigated using TEM, powder XRD, XPS, DRIFT, and 2D correlation analysis. The O 1s XPS spectra suggested that the microstructural changes during the annealing process are closely correlated with the oxygen sites of the ITO nanoparticles. The temperature-dependent in situ DRIFT spectra suggested that In-OH in the terminal sites is firstly decomposed and, then, Sn-O-Sn is produced in the ITO nanoparticles during the thermal annealing process. Based on the 2D correlation analysis, we deduced the following sequence of events: 1483 (due to In-OH bending mode) ${\rightarrow}$ 2268, 2164 (due to In-OH stretching mode) ${\rightarrow}$ 1546 (due to overtones of Sn-O-Sn modes) ${\rightarrow}$ 1412 (due to overtones of Sn-O-Sn modes) $cm^{-1}$.

Identification of a Radical Decomposition Pathway(s) of Polycyclic Aromatic Hydrocarbon by the Vibrational Frequency Calculations with DFT Method (DFT법에 의한 진동 운동 진동수 계산을 통한 다고리 방향족 탄화수소의 라디칼 분해 경로 동정)

  • Lee, Byung-Dae;Ha, Kwanga;Lee, Min-Joo
    • Journal of the Korean Chemical Society
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    • v.62 no.5
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    • pp.344-351
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    • 2018
  • The IR spectra of gaseous phenanthrene, phenathrenols, phenanthrenyl radicals, and hydroxylphenanthrene radicals have been obtained using the BLYP/6-311++G(d,p) method. A comparison of these spectra shows that the measurements of IR spectra can be valuable to identify the reaction pathway(s) of the phenanthrene decomposition reaction by ${\cdot}OH$. We have found that the H atom abstraction reaction process can be easily identifiable from the $650-850cm^{-1}$ (CH out-of-plane bending) region and the ${\cdot}OH$ addition reaction process from the CH stretching and bending modes region of IR spectra. In addition, the calculated IR spectra of all five phenanthren-n-ols (n = 1, 2, 3, 4, 9) have also given in this work.

Dehydration effects on spectroscopic properties of $Er^{+3}$ doped phosphate laser Glass ($Er^{+3}$ 첨가된 인산염 레이저 유리의 탈 수산기 영향에 관한 분광학적 특성)

  • Cho, Kou-Sung;Park, Wan-Soo;Kim, Jong-Su;Kim, Chong-Don
    • Proceedings of the Korean Institute of Electrical and Electronic Material Engineers Conference
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    • 2008.06a
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    • pp.335-335
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    • 2008
  • Phosphate glass samples with various $Cr_2O_3$ and $Er_2O_3$ contents based upon $55P_2O_5\cdot24BaO\cdot10K_2O\cdot4Al_2O_3\cdot6Yb_2O_3$ were prepared. The prepared glass compositions are dehydrated using gas bubble flow method in open system and investigated the effects of the eliminating of OH groups from the glass melts with bubbling time. It was found that the probability of $Er^{+3}$ fluorescence quenching by OH groups oscillations linear depends upon the OH groups absorption coefficients in the maximum of the stretch vibrations band at $3500cm^{-1}$ while $Er^{+3}$ concentration range is between $1.6\times10^{19}$ and $21.2\times10^{19}$ ion/$cm^3$.

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A Molecular Dynamics Simulation Study of Hydroxyls in Dioctahedral Phyllosilicates (분자동역학 시뮬레이션을 이용한 이팔면체 점토광물 수산기 연구)

  • Son, Sangbo;Kwon, Kideok D.
    • Journal of the Mineralogical Society of Korea
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    • v.29 no.4
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    • pp.209-220
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    • 2016
  • Clay minerals are a major player to determine geochemical cycles of trace metals and carbon in the critical zone which covers the atmosphere down to groundwater aquifers. Molecular dynamics (MD) simulations can examine the Earth materials at an atomic level and, therefore, provide detailed fundamental-level insights related to physicochemical properties of clay minerals. In the current study, we have applied classical MD simulations with clayFF force field to dioctahedral clay minerals (i.e., gibbsite, kaolinite, and pyrophyllite) to analyze and compare structural parameters (lattice parameter, atomic pair distance) with experiments. We further calculated vibrational power spectra for the hydroxyls of the minerals by using the MD simulations results. The MD simulations predicted lattice parameters and interatomic distances respectively deviated less than 0.1~3.7% and 5% from the experimental results. The stretching vibrational wavenumber of the hydroxyl groups were calculated $200-300cm^{-1}$ higher than experiment. However, the trends in the frequencies among different surface hydroxyl groups of each mineral was consistent with experimental results. The angle formed by the surface hydroxyl group with the (001) plane and hydrogen bond distances of the surface hydroxyls were consistent with experimental result trends. The inner hydroxyls, however, showed results somewhat deviated from reported data in the literature. These results indicate that molecular dynamics simulations with clayFF can be a useful method in elucidating the roles of surface hydroxyl groups in the adsorption of metal ions to clay minerals.

The Effects of Regular Exercise on the FMS Score in 20s Females (운동유무가 20대 성인여성의 FMS점수에 미치는 영향)

  • Kim, Sangyoon;Oh, Hanbyeol;Lee, Seonhee;Ji, Eunsun;Choi, Sangwon;Jang, Junhyeok
    • Journal of The Korean Society of Integrative Medicine
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    • v.1 no.1
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    • pp.61-68
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    • 2013
  • Purpose : The purpose of this study is to evaluate the stability and balance of the body, mobility complex exercise group and a student group for FMS tests to compare the differences between the two groups to identify its purpose. Method : The subjects of this study FMS measuring D University Physical Therapy, a student enrolled patients (7:7), and 7 patients total of 14 patients was conducted, compound exercise group weekly stretching 10 minutes, the 24 members who have run a complex exercise, 10 minutes of cool down stretching, 20-minute aerobic exercise were included in the study. Result : The results of this study, according to 1) Deep squat, Inline lunge, Trunk Stability Push-up there was significant difference(p<0.05), compound exercise group came out significantly higher. 2) Hurdle Step, Shoulder Mobility Reaching, Active Straight-leg Raise, Rotary stability in measured target these women flexibility because the test items that did not show a significant difference(p>0.05), the two groups averaged compared to the other items were higher. Complex exercise group, a statistically significant difference was overall average. Conclusion : FMS can not be resolved because of a compensatory mechanism to identify disparities and unbalanced movement patterns can help. Therefore, if the FMS and other tests conducted by splicing, will be utilized more profitably, and you will be able to suggest ways that can have a positive impact injury prevention is added to the side to expand the scope of the physical therapist.

Quantitative Analysis of Silanization Degree of Silica Nanoparticles Modified with Bis[3-(trimethoxysilyl)propyl]amine Coupling Agent (Bis[3-(trimethoxysilyl)propyl]amine 커플링제로 개질된 실리카 나노입자의 실란화도 정량 분석)

  • Jeon, Ha-Na;Kim, Jung-Hye;Ha, Ki-Ryong
    • Polymer(Korea)
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    • v.36 no.3
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    • pp.372-379
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    • 2012
  • In this study, we treated silica nanoparticles with bis[3-(trimethoxysilyl)propyl]amine (BTMA) silane coupling agent to modify their surfaces. We investigated the effects of BTMA hydrolysis time, BTMA concentration and BTMA treatment time on the degree of silanization reaction of silica nanoparticles. We used Fourier transform infrared spectroscopy (FTIR), elemental analysis (EA) and solid state cross-polarization magic angle spinning (CP/MAS) nuclear magnetic resonance spectroscopy (NMR) to obtain quantitative data. We found the decrease of isolated Si-OH peak intensity at 3747 $cm^{-1}$ and the increase of $-CH_2 $stretching and bending peaks with increasing hydrolysis time, concentration and treatment time of BTMA. EA analysis results also supported this trend. We found a strong effect of BTMA concentration on the degree of silanization of the silica particles, but weak effects of the hydrolysis time and the treatment time.

Formability Evaluation of a Copper Alloy for Regenerative Cooling Thrust Chamber (재생냉각 연소기 챔버 제작용 구리합금의 성형성 평가)

  • Ryu, Chul-Sung;Lee, Keum-Oh;Choi, Hwan-Seok
    • Journal of the Korean Society for Aeronautical & Space Sciences
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    • v.37 no.9
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    • pp.939-945
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    • 2009
  • The dome stretching tests and tension tests have been performed to obtain a forming limit curve(FLC) for the copper alloy which is used for manufacturing the regenerative cooling thrust chamber. For experimental investigation of the forming limit curve, we have used in-plane tension specimen to obtain tension-compression strain state as well as out-of-plane specimen to obtain tension-tension strain state through dome stretching test. All specimens were divided into longitudinal and transverse directions according to the orientation of test specimen. The test results showed that in the tension-tension region, copper alloy revealed a maximum major strain of 62.3% and a maximum minor strain of 58.6%. In the tension-compression region, the maximum major strain and the maximum minor strain were measured to be 60.5% and 25.8%, respectively.

Gemmological Characterization of Precious Serpentine from Booyo, Korea (부여산 귀사문석의 보석학적 특성 연구)

  • 김원사;우영균;이재열;김경수
    • Journal of the Mineralogical Society of Korea
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    • v.9 no.2
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    • pp.102-112
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    • 1996
  • The precious serpentine, referring to a rare and highly valuable gem variety of serpentine group minerals, is found to occur in serpentinite from Booyo Gren Jade Mine which is located in Oesan-myun, Booyo-gun of Chungchungnam-do. Geommological properties of the precious serpentine have been investigated by use of polarizing microscope, specific gravity balance, refractometer, hardness pencils, X-ray diffractometer, XRF, ICP-MS analyser, and infrared absorption spectroscope.The precious serpentine from Booyo is colored deep green with oily luster and semi-transparent. It is highly tough and Mohs's scale of hardness is measured to be 5-6. Specific gravity is determined to be 2.67, and a single refractive index ND=1.56 is observed by a spot method, using sodium light source. X-ray powder diffraction data is represented by the reflection lines at 7.40(100), 4.64(25), 3.68(68), 2.757(69), 2.530(49), 2.549(32), and 1.710(21${\AA}$), which compares very well with that of antigorite of serpentine group minerals. The major chemical compositions of the precious serpentine group minerals. The major chemical compositions of the precious serpentine are SiO2 42.49%, MgO 39.08%, Fe2O3 3.85%, and H2O 11.87%. Besides, trace elements such as Cr(2188), Ni(1110ppm), Co(58ppm), and Ta (108ppm) are relatively spectrum shows peaks at 3670, 1190, 1070, 980 and 610cm-1. Strong absorption at 3670cm-1 is due to OH stretching, and 1190, 1070 and 980cm-1 due to SiO stretching. The absorption 610cm-1 is formed by alteration of pre-existing ultramafic rock, namely peridotite, with an introduction of fluid with very little content of CO2, under 400$^{\circ}C$ environment. Magnetite inclusions, finely disseminated in the precious serpentine, may be a result of Fe precipitation, during serpentinization of olivine-bearing country rock.

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Elastic Properties and Repeated Deformation Reliabilities of Stiffness-Gradient Stretchable Electronic Packages (강성도 경사형 신축 전자패키지의 탄성특성 및 반복변형 신뢰성)

  • Han, Kee Sun;Oh, Tae Sung
    • Journal of the Microelectronics and Packaging Society
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    • v.26 no.4
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    • pp.55-62
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    • 2019
  • Stiffness-gradient stretchable electronic packages of the soft PDMS/hard PDMS/FPCB structure were processed using the polydimethylsiloxane (PDMS) as the base substrate and the more stiff flexible printed circuit board (FPCB) as the island substrate. The elastic characteristics of the stretchable packages were estimated and their long-term reliabilities on stretching cycles and bending cycles were characterized. With 0.28 MPa, 1.74 MPa, and 1.85 GPa as the elastic moduli of the soft PDMS, hard PDMS, and FPCB, respectively, the effective elastic modulus of the soft PDMS/hard PDMS/FPCB package was estimated as 0.6 MPa. The resistance of the stretchable packages varied for 2.8~4.3% with stretching cycles ranging at 0~0.3 strain up to 15,000 cycles and for 0.9~1.5% with 15,000 bending cycles at a bending radius of 25 mm.

Synthesis and Characterization of Substituted Quinoline Complexes of Molybdenum(I) Oxo Molybdenum(V) Complexes of Substituted 8-Quinolinols (몰리브덴(V)의 퀴놀린계 착물합성과 그 성질 (제1보) 치환-8-퀴놀린올의 옥소몰리브덴 (V) 착물)

  • Lee Kwang;Sang-Oh Oh
    • Journal of the Korean Chemical Society
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    • v.29 no.4
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    • pp.372-381
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    • 1985
  • Oxo molybdenum (V) complexes of substituted 8-quinolinols were synthesized and characterized by means of the investigation of elemental analysis, infrared spectra, electron spectra, electric conductivity and mass spectrometry compared with oxo molybdenum (VI) complexes. Oxo molybdenum(V) complexes were nonelectrolyte and one strong band of stretching mode of molybdenum and terminal oxygen appeared approximately $940cm^{-1}$. Oxo molybdenum(VI) complexes gave two peaks corresponding molybdenum containing ions, a molecular ion (I) of a 2 : 1 (ligand : metal) chelate and a fragment ion (II) of a 1:1 chelate due to the loss of ligand radical from ion (I). Molybdenum(V) complexes were observed the fragment ion(II) of a 1 : 1 chelate partly. The electronic spectra corresponding to d-d transition and charge transfer transition were observed and interpreted.

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