• 한국결정학회지
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• 제15권1호
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• pp.35-39
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• 2004

Two new nickel vanadium borophosphate cluster compounds, $(NH_4)_{10}[Ni(H_2O)_5]_4[V_2P_2BO_{12}]_6{\cdot}nH_2O$ (1) and $(NH_4)_{3.5}(C_3H_{12}N_2)_{3.5}[Ni(H_2O)_6]_{1.25}{[Ni(H_2O)_5]_2[V_2P_2BO_{12}]_6{\cdot}nH_2O$ (2) have been synthesized and structurally characterized. Inter-diffusion methods were employed to prepare the compounds. The cluster anion $[(NH_4)\;{\supset}\;V_2P_2BO_{12}]_6$ is used as a building unit in the synthesis of new compounds containing $Ni(H_2O){^{2+}_5}$ in the presence of pyrazine and 1,3-diaminopropane. Compounds contain isolated cluster anions with general composition ${[Ni(H_2O)_5]_n[(NH_4)\;{\supset}\;V_2P_2BO_{12}]_6}^{-(17-2n)}$ (n = 2, 4). Crystal data: $(NH_4)_{10}[Ni(H_2O)_5]_4[V_2P_2BO_{12}]_6{\cdot}nH_2O$, monoclinic, space group C2/m (no. 12), a = 27.538(2) ${\AA}$, b = 20.366(2) ${\AA}$, c = 11.9614(9) ${\AA}$, ${\beta}$ = 112.131(1)$^{\circ}$, Z = 8; $(NH_4)_{3.5}(C_3H_{12}N_2)_b[Ni(H_2O)_6]_{3.5}{[Ni(H_2O)_5]_2[V_2P_2BO_{12}]_6{\cdot}nH_2O$, triclinic, space group P-1 (no. 2), a = 17.7668(9) ${\AA}$, b = 17.881(1) ${\AA}$, c = 20.668(1) ${\AA}$, ${\alpha}$ = 86.729(1)$^{\circ}$, ${\beta}$ \ 65.77(1)$^{\circ}$, ${\gamma}$ = 80.388(1)$^{\circ}$, Z = 2.

• 대한화학회지
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• 제59권2호
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• pp.117-124
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• 2015

Hydrogen polyoxide, $H_2O_n-H_2O_m$(n=1-4, m=1-4) 이중합체(dimer)의 분자 구조 변화에 따른 수소결합(H-bonding) 효과를 순 이론적(ab initio) 방법과 밀도 범함수 이론(DFT)으로 계산하였다. 분자 구조는 B3LYP, CAM-B3LYP, MP2의 양자역학적 방법들을 사용하여 최적화하였으며, 진동주파수를 계산하여 최저에너지(true local minimum) 구조인 것을 확인하였다. 보다 정확한 수소결합 에너지(${\Delta}E$) 계산을 위하여 CCSD(T) 이론수준에서 한 점(single-point) 에너지 계산을 하였으며, 영점 진동에너지(ZPVE) 보정과 바탕집합 중첩에러(BSSE) 보정을 하였다. CCSD(T)/cc-pVTZ 이론 수준에서 $H_2O_4-H_2O_3$이 8.18 kcal/mol로 가장 강한 결합을 나타내었으며, 물 이중합체($H_2O-H_2O$)는 3.00 kcal/mol로 가장 약한 결합에너지를 나타내었다.

• Bulletin of the Korean Chemical Society
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• 제24권2호
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• pp.197-204
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• 2003

The intracluster ion-molecule reactions of $Ti^+(H_2O)_n,\;Ti^+(CH_3OCH_3)_n,\;and\;Ti^+(CH_3OD)_n$ complexes produced by the mixing of the laser-vaporized plasma and the pulsed supersonic beam were studied using a reflectron time-of-flight mass spectrometer. The reactions of $Ti^+$ with water clusters were dominated by the dehydrogenation reaction, which produces $TiO^+(H_2O)_n$ clusters. The mass spectra resulting from the reactions of $Ti^+\;with\;CH_3OCH_3$ clusters exhibit a major sequence of $Ti^+(OCH_3)_m(CH_3OCH_3)_n$ cluster ions, which is attributed to the insertion of $Ti^+$ ion into C-O bond of $CH_3OCH_3$ followed by $CH_3$ elimination. The prevalence of $Ti^+(OCH_3)_m(CH_3OD)_n$ ions in the reaction of $Ti^+\;with\;CH_3OD$ clusters suggests that D elimination via O-D bond insertion is the preferred decomposition pathway. In addition, the results indicate that consecutive insertion reactions by the $Ti^+$ ion occur for up to three precursor molecules. Thus, examination of $Ti^+$ insertion into three different molecules establishes the reactivity order: O-H > C-O > C-H. The experiments additionally show that the chemical reactivity of heterocluster ions is greatly influenced by cluster size and argon stagnation pressure. The reaction energetics and formation mechanisms of the observed heterocluster ions are also discussed.

• Bulletin of the Korean Chemical Society
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• 제26권8호
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• pp.1185-1189
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• 2005

Two new copper vanadium borophosphate compounds, $(NH_4)(C_2H_{10}N_2)_{5.5}[Cu(C_2H_8N_2)_2]_3[V_2P_2BO_{12}]_6{\cdot}17H_2O,\;Cu-VBPO1\;and\;(NH_4)(C_2H_{10}N_2)_{3.5}[Cu(C_2H_8N_2)_2]_5[V_2P_2BO_{12}]_6{\cdot}18H_2O$, Cu-VBPO2 have been hydrothermally synthesized and characterized by single crystal X-ray diffraction, thermogravimetric analysis, IR spectroscopy, and elemental analysis. The structure of Cu-VBPO1 contains a layer anion, {$[Cu(C_2H_8N_2)_2]_3[V_2P_2BO_{12}]_6$}$^{12-}$, whereas Cu-VBPO2 has an open framework anion, {$[Cu(C_2H_8N_2)_2]_5[V_2P_2BO_{12}]_6$}$^{8-}$. Crystal Data: $(NH_4)(C_2H_{10}N_2)_{5.5}[Cu(C_2H_8N_2)_2]_3[V_2P_2BO_{12}]_6{\cdot}17H_2O$, monoclinic, space group I2/m (no. 12), $\alpha$ = 15.809(1) $\AA$, b = 31.107(2) $\AA$, c = 12.9343(8) $\AA$, $\beta$ = 104.325(1)$^{\circ}$, Z = 2; $(NH_4)(C_2H_{10}N_2)_{3.5}[Cu(C_2H_8N_2)_2]_5[V_2P_2BO_{12}]_6{\cdot}18H_2O$, tetragonal, space group $P4_2$/mnm (no.136), $\alpha$ = 26.832(1) $\AA$, c = 18.021(1) $\AA$, Z = 4.

• Journal of Korean Society for Atmospheric Environment
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• 제10권E호
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• pp.332-342
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• 1994

40가지 이상의 대기중 화학성분과 기상조건이 1988년 5월과 6월 사이의 MLOPEX기간 동안 동시 측정되었다. MLOPEX의 기본 목표는 인간의 직접적 오염을 받지 않는 청정 대류권(free tropo-sphere)에 위치한 Mauna Loa(Hawaii) 관측소에서 대기중 여러 화학 물질들의 배경 농도들을 파악하고 그들의 상관관계를 규명하며, 그 결과를 광화학적 모델에 적응하여 모델의 적합성과 보완점을 이해하는 것이었다. 예상과는 달리 청정 대류권내에서도 상당히 복잡하고 다양한 농도의 변화를 보여 모델에 적용시킬 배경농도를 단순히 평균값으로 결정 하기에는 어려움이 있었다. 이 연구에서는 cluster와 factor 분석의 통계적 방법을 이용하여 MLOPEX 기간동안 관측소에 나타난 기단(airmass)의 특성을 분류하고, 그 중 청정대기를 대표할 수 있는 농도를 결정하는 것이다. cluster 분석방법은 13가지 분석변수(variable)들을 크게 3가지의 그룹; (1)상대적으로 깨끗하고 오래된 공기를 대표하는 변수들 (2)인위적인 오염을 지시하는 변수들 (3)주위 해양과 화산의 영향을 나타내는 변수들로 분리하였다. 또 factor분석에 의해서는 (1)화산 영향 대기 (2)성층권 대기 (3)오염된 대기경계층 공기(boundary-lay-er air) (4)광화학적 연무(haze) (5)해양성 대기경계층 공기 (6)해양성 청정공기들로 분류되었다. 이 결과를 가지고 계산한 Mauna Loa 관측소의 청정공기 배경농도와 조건값들은 다음과 같다. : $O_3$(41$\pm$10ppbv), HN $O_3$(94 $\pm$ 45pptv), N $O_3$$^{-}$(16 $\pm$ 10pptv), S $O_4$= (60 $\pm$ 0pptv), N $H_4$$^{＋}$ (71 $\pm$ 6pptv), $Na^{＋}$(5 $\pm$ 1pptv), PAN(13 $\pm$9pptv), MeN $O_3$(methyl nitrate, 3.5 $\pm$ 1.5pptv), 2- butyl N $O_3$(0.6$\pm$0.1pptv), $H_2O$$_2$(1015$\pm$44pptv), $C_2$C $l_4$(3.3$\pm$0.1pptv), 응결핵(249$\pm$13$cm^{-3}$), 이슬점온도(-8.5 $\pm$ 5.3$^{\circ}C$).

• Bulletin of the Korean Chemical Society
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• 제26권8호
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• pp.1214-1218
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• 2005

Ti-HMS samples in which titanium species exist in various forms of isolated tetrahedral state, finely dispersed $TiO_2$ cluster, and some in extra-framework anatase phase were prepared via a direct synthesis route using dodecylamine (DDS) as a structure directing agent by systematically varying the titanium loadings between 2 and 50 mol% Ti/(Ti+Si) in substrate composition. Physicochemical properties of the materials were evaluated using XRD, SEM/TEM, N2 adsorption, UV-vis and XANES spectroscopies. Catalytic properties of Ti-HMS in cyclohexene and 2,6-di-tert-butyl phenol (2,6-DTBP) oxidation using aqueous $H_2O_2$, and vapor phase photocatalytic degradation of acetaldehyde were evaluated. High $H_2O_2$ selectivity was obtained in cyclohexene oxidation, and cyclohexene conversion was found primarily dependent on the amount of tetrahedrally coordinated Ti sites. For bulky 2,6-DTBP oxidation and photocatalytic oxidation of acetaldehyde, on the other hand, conversions were found dependent on the total amount of Ti sites and maintaining an uniform mesoporous structure in the catalysts was not critical for efficient catalysis.

• 한국진공학회지
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• 제7권s1호
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• pp.57-77
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• 1998

Heteroepitaxial $Y_2O_3$ films were grown on a Si(111) substrate by ionized cluster beam deposition(ICBD) in ultra high vacuum, and its qualities such as crystllitnity, film stress, and morphological characteristics were investigated using the various measurement methods. The crystallinity was investigated by x-ray diffraction (XRD) and reflection high energy electron diffraction (RHEED). Interface crystallinity was also examined by Rutherford backscattering spectroscopy(RBS) channeling, transmission electron microscopy(TEM). The stress of the films was measured by RBS channeling and XRD. Surface and interface morphological characteristics were investigated by atomic force microscopy (AFM) and x-ray scattering method. Comparing the interface with the surface characteristics, we can conclude that many defects at the interface region were generated by interface reaction between the yttrium metal and SiO2 layer and by ion beam characteristic such as shallow implantation, so that they influenced the film qualities. The film quality was dominantly depended on the characteristic temperature range. In the temperature range from $500^{\circ}C$ to $600^{\circ}C$, the crystallinity was mainly improved and the surface roughness was drastically decreased. On the other hand, in the temperature range from $600^{\circ}C$ to $700^{\circ}C$, the compressive stress and film density were dominantly increased, and the island size was more decreased. Also the surface morphological shape was transformed from elliptical shape to triangular. The film stress existed dominantly at the interface region due to the defects generation.

• 농업생명과학연구
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• 제50권3호
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• pp.69-80
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• 2016

본 연구는 산겨릅나무 자생지(화악산, 망대암산, 계방산, 고루포기봉, 가리왕산, 두위봉, 금대봉과 지리산)의 입지환경, 토양특성, 및 식생구조 분석을 통해 자생지 보전 및 복원을 위한 기초자료를 제공하고자 하였다. 산겨릅나무 자생지는 해발 605~1,413m에 위치하고, 경사는 8~30°로 다양하며, 노암율은 8~50%로 나타났다. PC-ORD를 이용한 이단계 군집분석 결과 군집I(산겨릅나무-신갈나무 군집), 군집II(산겨릅나무-까치박달 군집), 군집III(신갈나무-피나무 군집) 등 3개의 식물 군집으로 구분되었다. 종다양성지수(H')는 군집 II가 1.474로 가장 높게 나타났으며, 군집 I이 1.417, 군집 III이 1.219로 확인되었다. 산겨릅나무 자생지의 토성은 점토의 비율이 높은 식양토이며, 토양 산도, 유기물함량, 유효인산은 각각 pH 4.8, 15.56%, 2.33ppm으로 확인되었다. 토양 특성과 군집, 표징종을 ordination분석한 결과 가장 크게 영향을 주는 인자는 사면경사이며, 아교목층과 관목층의 피도, 유기물함량, 전질소, 칼슘, 마그네슘인 것으로 확인되었다. 환경요인 간 상관 분석을 실시한 결과, O.M. - (T.N., K+, Mg2+, CEC, EC), T.N. - (K+, Mg2+, CEC, EC) 등은 높은 정의 상관관계를 형성하였다.

• 천문학회보
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• 제41권2호
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• pp.54.1-54.1
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• 2016

Stellar wind and radiation pressure from massive stars can trigger the formation of new generation of stars. The sequential age distribution of stars, the morphology of cometary globules, and bright-rimmed clouds have been accepted as evidence of triggered star formation. However, these characteristics do not necessarily suggest that new generation of stars are formed by the feedback of massive stars. In order to search for any physical connection between star forming events, we have initiated a study of gas and stellar kinematics in NGC 1893, where two prominent cometary nebulae are facing toward O-type stars. The spectra of gas and stars in optical and near-infrared (NIR) wavelength are obtained with Hectochelle on the 6.5m MMT and Immersion GRating INfrared Spectrograph on the 2.7m Harlan J. Smith Telescope at McDonald observatory. In this study, the radial velocity field of gas across the cluster is investigated using $H{\alpha}$ and [N II] ${\lambda}$ 6584 emission lines, and that of the cometary nebula Sim 130 is also probed using 1-0 S(1) transition line of $H_2$. We report a distinctive velocity field of the cometary nebulae and many ro-vibrational transitions of $H_2$ even at high energy levels in the NIR spectra. These properties indicate the interaction between the cometary nebulae and O-type stars, and this fact can be a clue to triggered star formation in NGC 1893.

• 한국진공학회:학술대회논문집
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• 한국진공학회 1998년도 제14회 학술발표회 논문개요집
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• pp.87-89
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• 1998

The Y2O3 films on Si(111) was grown by ionized cluster beam depposition (ICBD) in ultrahigh-vacuum (UHV). The acceleration voltage and oxygen ppartial ppressure were fixed at 5 kV and 2$\times$10-5 Torr resppectively. The substrate tempperature was varied from 10$0^{\circ}C$ to $600^{\circ}C$ in order to find the deppendence of crystallinity of Y2O3 films on the substrate tempperature. The crystallinity of the films with the substrate tempperature studied using x-ray diffraction (XRD) and Rutherford backscattering sppectroscoppy (RES). Surface crystallinity and surface morpphology of the films were also investigated using the reflection high-energy electron diffraction (RHEED) and atomic force microscoppe (AFM) resppectively. The films grown at the substrate tempperature below 50$0^{\circ}C$showed the ppoly-crystalline structure of oxygen deficiency. On the contrary the single-crystalline structure was obtained at the substrate tempperature over 50$0^{\circ}C$ and the stochimetry was gradually matched as increasing the substrate tempperature. The surface morpphology showed the increase of the surface roughness as the substrate tempperature was increased upp to 50$0^{\circ}C$ The crystallinity of the film was not good and the minimum channeling yield $\chi$min was measured at 0.91 The stochiometric and high crystallinine film (surface $\chi$min=0.25) was obtained as the substrate tempperature increased upp to 60 $0^{\circ}C$ which indicate the tempperature was sufficient to migrate the depposited atom.