• Bulletin of the Korean Chemical Society
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• 제31권8호
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• pp.2175-2179
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• 2010

Quantum mechanical properties of unsymmetrical and unfunctionalized trans-stilbene derivatives 1-3, which had been prepared by solid-phase parallel syntheses, were characterized using mPW1PW91/6-311G(d,p) (hybrid HF-DF) calculations. The total electronic energies, normal vibrational modes, Gibbs free energies, and HOMOs and LUMOs of sixteen different structures from three different groups were analyzed. The energy differences between the HOMOs and LUMOs of the various unsymmetrical trans-stilbenes are in accord with the maximum absorption peaks of the experimental UV spectra of 1-3. The calculated normal vibrational modes of 21 were comparable with its experimental IR spectrum. The $\pi$-conjugation in the para-connected biphenyl group of 2 is better than the one in the metaconnected biphenyl group on the shorter side of 3.

• 한국광물학회지
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• 제22권2호
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• pp.81-86
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• 2009

변색 효과를 보이는 6종의 보석들을 대상으로 UV-Vis 분광분석과 Photoluminescence에 의한 발광 및 형광 특성을 조사하였다. 514 nm Ar이온 source로 PL을 측정한 결과 발광 피크의 모양이 다르게 나타났고 같은 천연과 합성 보석에서는 동일한 피크가 나타났다. 이들 발광 및 형광 특성은 보석들의 결정 구조와 관련이 있음을 관찰할 수 있었다. 325 nm He-Cd source에 의한 형광 조사에서는 합성 알렉산드라이트와 합성 칼라체인지 사파이어 그리고 천연 알렉산드라이트에서 강한 형광이 나타났고 이를 PL 피크로 확인하였다.

• 대한화학회지
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• 제34권6호
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• pp.616-621
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• 1990

UV-VIS 흡광광도법으로 Nd, Pr, Sm, Eu, Ho 및 Er을 정량할 때 스펙트럼 방해를 다원소 보정법으로 방법에 대하여 연구하였다. 개별희토류의 흡광도를 측정하고 또, Nd와 Pr의 혼합용액 및 Sm, Eu, Ho, Er의 혼합용액의 흡광도를 측정하여 몰흡광 계수를 구하고 이들로부터 상호 방해가 가장 적은 파장 즉, Nd(444.2nm), Pr(575.1nm), Sm(401.7nm), Eu(394.2nm), Ho(416.6nm), Er(379.7 nm)임을 알았다.

• 천문학회보
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• 제19권
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• pp.6.2-7
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• 1994

• Bulletin of the Korean Chemical Society
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• 제31권7호
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• pp.1875-1880
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• 2010

A dicycle pyrazoline derivative, 1-phenyl-5-(p-fluorophenyl)-3,4-($\alpha$-p-fluoro-tolylenecyclohexano) pyrazoline, was synthesized and characterized by elemental analysis, IR, UV-vis, fluorescence spectra and X-ray single crystal diffraction. Density function theory (DFT) calculations were performed by using B3LYP method with 6-$311G^{**}$ basis set. The optimized geometry can well simulate the molecular structure. Vibrational frequencies were predicted, assigned and compared with the experimental values, which suggest that B3LYP/6-$311G^{**}$ method can well predict the IR spectra. Both the experimental electronic absorption spectra and the predicted ones by B3LYP/6-$311G^{**}$ method reveal three electron-transition bands, with the theoretical ones having some red shifts compared with the experimental data. Natural bond orbital analyses indicate that the absorption bands are mainly derived from the contribution of n $\rightarrow\pi^*$ and $\pi\rightarrow\pi^*$ transitions. Fluorescence spectra determination shows that the title compound can emit blue-light at about 478 nm. On the basis of vibrational analysis, the thermodynamic properties of title compound at different temperature have been calculated, revealing the correlations between $C^0_{p,m}$, $S^0_m$, $H^0_m$ and temperature.

• 한국재료학회지
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• 제22권2호
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• pp.91-96
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• 2012

AC and ZnS modified $TiO_2$ composites (AC/ZnS/$TiO_2$) were prepared using a sol-gel method. The composite obtained was characterized by Brunauer-Emmett-Teller (BET) surface area measurements, X-ray diffraction (XRD), energy dispersive X-ray (EDX) analysis, scanning electron microscope (SEM) analysis, and according to the UV-vis absorption spectra (UV-vis). XRD patterns of the composites showed that the AC/ZnS/$TiO_2$ composites contain a typical single and clear anatase phase. The surface properties as observed by SEM present the characterization of the texture of the AC/ZnS/$TiO_2$ composites, showing a homogenous composition in the particles showing the micro-surface structures and morphology of the composites. The EDX spectra of the elemental identification showed the presence of C and Ti with Zn and S peaks for the AC/ZnS/$TiO_2$ composite. UV-vis patterns of the composites showed that these composites had greater photocatalytic activity under visible light irradiation. A rhodamine B (Rh.B) solution under visible light irradiation was used to determine the photocatalytic activity. The degradation of Rh.B was determined using UV/Vis spectrophotometry. An increase in the photocatalytic activity was observed. From the photocatalytic results, the excellent activity of the Y-fullerene/$TiO_2$ composites for the degradation of methylene blue under visible irradiation could be attributed to an increase in the photo-absorption effect caused by the ZnS and to the cooperative effect of the AC.

• 농업과학연구
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• 제35권1호
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• pp.11-17
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• 2008

가시오가피를 실온에서 petroleum ether로 추출한 polyacetylene의 동정하기 위하여 TLC, HPLC, UV spectrum, IR, NMR로 수행하였다. TLC에 전개시킨 결과, polyacetylene 표준품과 동일한 band가 fraction 5에서 확인되었으며, HPLC에서 fraction 5를 분리시킨 결과 retention time이 4.40, 5.36, 6.40분이었다. 이를 UV spectrum에서 확인한 결과, 6.40분의 peak(compound 3)에서 polyacetylenes의 파장인 231.0nm, 239.0nm, 257.0nm을 나타내었다. IR spetrum에서 triple bond $2256cm^{-1}$과 double bond $1654cm^{-1}$의 전형적인 peak를 나타내었으며, $^{13}C$-NMR(400MHz, $CDCl_3$)에서 polyacetylenes 전형적인 64.0, 71.2, 74.2, 80.2ppm은 2개의 triple bond에 의한 peak와 121.89, 133.0ppm에서 internal double bond로 결합된 2개의 peak를 확인 할 수 있었다.

• Journal of Astronomy and Space Sciences
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• 제29권2호
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• pp.181-189
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• 2012

To broaden the understanding of classical Cepheid structure, evolution and atmospheres, we have extended our continuing secret lives of Cepheids program by obtaining XMM/Chandra X-ray observations, and Hubble space telescope (HST) / cosmic origins spectrograph (COS) FUV-UV spectra of the bright, nearby Cepheids Polaris, ${\delta}$ Cep and ${\beta}$ Dor. Previous studies made with the international ultraviolet explorer (IUE) showed a limited number of UV emission lines in Cepheids. The well-known problem presented by scattered light contamination in IUE spectra for bright stars, along with the excellent sensitivity & resolution combination offered by HST/COS, motivated this study, and the spectra obtained were much more rich and complex than we had ever anticipated. Numerous emission lines, indicating $10^4$ K up to ${\sim}3{\times}10^5$ K plasmas, have been observed, showing Cepheids to have complex, dynamic outer atmospheres that also vary with the photospheric pulsation period. The FUV line emissions peak in the phase range ${\varphi}{\approx}0.8-1.0$ and vary by factors as large as $10{\times}$. A more complete picture of Cepheid outer atmospheres is accomplished when the HST/COS results are combined with X-ray observations that we have obtained of the same stars with XMM-Newton & Chandra. The Cepheids detected to date have X-ray luminosities of log $L_X{\approx}28.5-29.1$ ergs/sec, and plasma temperatures in the $2-8{\times}106$ K range. Given the phase-timing of the enhanced emissions, the most plausible explanation is the formation of a pulsation-induced shocks that excite (and heat) the atmospheric plasmas surrounding the photosphere. A pulsation-driven ${\alpha}^2$ equivalent dynamo mechanism is also a viable and interesting alternative. However, the tight phase-space of enhanced emission (peaking near 0.8-1.0 ${\varphi}$) favor the shock heating mechanism hypothesis.

• 대한화학회지
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• 제20권5호
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• pp.398-405
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• 1976

메틸 피라진과 피라진산으로 부터 새로운 화합물 1,2-비스피라진 에틸렌을 합성하여 기기분석과 원소분석으로 이 화합물의 구조를 확인하였다. UV-VIS 스펙트럼에서는 예상했던 $(n,\;{\pi}^*)^1$ 흡수띠가 흡광도가 강한 $({\pi},\;{\pi}^*)^1$ 흡수띠에 묻혀 볼 수가 없었으나 형광에 미치는 염의 효과로 부터 $(n,\;{\pi}^*)^1$ 상태가 $({\pi},\;{\pi}^*)^1$ 상태와 거의 같은 에너지를 갖고 있음을 알았다. $77^{\circ}K$에서 형광의 양자 수득률은 0.025로서 같은 조건에서 형광 양자 수득륙이 1인 스틸벤과 좋은 대조를 이루며 이는 $(n,\;{\pi}^*)$와 $({\pi},\;{\pi}^*)$의 혼합으로 단일 상태에서 삼중 상태로의 intersystem crossing이 효율적으로 잘 일어난다는 것을 말해 준다.

• Bulletin of the Korean Chemical Society
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• 제20권6호
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• pp.677-682
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• 1999

Conjugated polycarbosilanes with diacetylene and aromatic groups of thiophene or phenylene simultaneously present in the polymer backbone such as poly[[1,4-bis(thiophenyl)buta-1,3-diyne]-alt-(dimethylsilane)], poly[[1,4-bis(thiophenyl)buta-1,3-diyne]-alt-(diphenylsilane)], poly[[1,4-bis(phenyl)buta-1,3-diyne]-alt-(dimethylsilane)],and poly[[1,4-bis(phenyl)buta-1,3-diyne]-alt-(diphenylsilane)] have been prepared. The characteristic C=C stretching frequencies appear at 2177-2179㎝-1 in the IR spectra of the polymers. The molecular weights of these polymers were detemined by GPC. All of these materials are soluble in organic solvents such as THF and chloroform, and thermally stable up to 200℃ in general without any weight loss under nitrogen. The prepared materials in THF solvent show a maximum absorption peak in the range of 334-356 nm with a molar absorptivity of 10³∼10ⁿ(n=5)L/(cm·mol) in the UV-visible absorption spectra. A maximum emission peak in the range of 403-550 nm is also observed in the fluorescence emission spectra. Both absorption and emission spectra strongly indicate that the obtained polycarbosilanes contain the new conjugated systems along the polymer main chain.