• 제목/요약/키워드: Dipole interaction.

검색결과 114건 처리시간 0.022초

MeOH-DMSO 혼합용매중에서 tert-butyl halide의 이온화에 미치는 용매효과 (Study of Solvent Effects on the Ionization of tert-butyl Halide in MeOH-DMSO Mixtures)

  • 사공열;김시준;김진성;이본수
    • 대한화학회지
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    • 제29권1호
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    • pp.45-51
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    • 1985
  • MeOH-DMSO 혼합용매중에서 t-butyl halide의 가메탄올 분해반응 속도상수 및 활성화 파라미터를 전기전도도법으로 측정하였고, Taft의 분광용매화 변수인 용매의 극성-편극성(${\pi}^{\ast}$), 수소결합주기산도(${\alpha}$) 및 수소결합 받기염기도(${\beta}$)를 분광법에 의해서 5가지의 지시약을 이용하여 측정계산하였다. 분광용매화변수와 반응속도상수로부터 얻은 활성화파라미터를 써서 용매의 부피조성비에 따른 가용매분해반응의 속도상수 변화를 논의한 결과, t-butyl halide의 이온화에 용매의 ${\pi}^{\ast}$, ${\alpha}$${\beta}$가 협동적으로 기여했고, 또한 이탈기와 혼합용매사이의 이온-쌍극자 작용과 수소결합주기-받기 작용과 같은 독특한 상호작용이 전이상태의 안정화에 미치는 가장 중요한 용매효과 인자들임을 밝혔다.

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Quenching of Ofloxacin and Flumequine Fluorescence by Divalent Transition Metal Cations

  • Park, Hyoung-Ryun;Oh, Chu-Ha;Lee, Hyeong-Chul;Choi, Jae-Gyu;Jung, Beung-In;Bark, Ki-Min
    • Bulletin of the Korean Chemical Society
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    • 제27권12호
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    • pp.2002-2010
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    • 2006
  • This study examined the quenching of ofloxacin (OFL) and flumequine (FLU) fluorescence by $Cuj^{2+}$, $Ni^{2+}$, $Co^{2+}$ and $Mn^{2+}$ in an aqueous solution. The change in the fluorescence intensity and lifetime was measured at various temperatures as a function of the quencher concentration. According to the Stern-Volmer plots, the fluorescence emission was quenched by both collisions (dynamic quenching) and complex formation (static quenching) with the same quencher but the effect of static quenching was larger than that of dynamic quenching. Large static and dynamic quenching constants for both OFL and FLU support significant ion-dipole and orbital-orbital interactions between fluorophore and quencher. For both molecules, the static and dynamic quenching constants by $Cu^{2+}$ were the largest among all the metal quenchers examined in this study. In addition, both the static and dynamic quenching mechanisms by $Cu^{2+}$ were somewhat different from the quenching caused by other metals. Between $Ni^{2+}$ and FLU, a different form of chemical interaction was observed compared with the interaction by other metals. The change in the absorption spectra as a result of the addition of a quencher provided information on static quenching. With all these metals, the static quenching constant of FLU was larger than those of OFL. The fluorescence of OFL was quite insensitive to both the dynamic and static quenching compared with FLU. This property of OFL can be explained by the twisted intramolecular charge transfer in the excited state.

유화 Spinel $Co_{0.95}Fe_{0.05}Cr_2S_4$에서 Jahn - Teller Distortion에 의한 Mossbauer 공명 흡수선의 변화에 관한 연구 (The Mossbauer Spectra Changes Due to the Jahn-Teller Distortion in Sulphur Spinel $Co_{0.95}Fe_{0.05}Cr_2S_4$)

  • 서정철;이민용;고영복
    • 한국자기학회지
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    • 제7권5호
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    • pp.225-231
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    • 1997
  • 유화 Spinel $Co_{0.95}$ F $e_{0.05}$C $r_{2}$ $S_{4}$에 대한 Mossbauer Spectrum을 자기적 전이온도 부근에서부터 액체 헬륨 온도까지 여러 온도 범위에 측정하였다. 사면체 자리에 놓여있는 F $e^{2+}$ 이온은 Jahn-Teller active로서의 역할을 하여 자기적 전이온도 이하에서부터 결정 구조상에 일그러짐을 유도하여 전기 4중극자를 형성하게된다. 초미세 자기장은 100 K 근방에서 최대 값을 갖고 온도가 감소할수록 급히 감소하는 현상을 보이고 있다. 전기 4중극자 상호작용과 자기 2중극자 상호작용 크기의 비 R은 자기적 전이온도에서 0의 값이었으나 온도가 내려감에 따라 증가하여 4.2 K 에서는 5.4의 값을 가지고 있다. 초미세 자기장의 방향과 최대 전기장 기울기 주축과의 각 .theta. 의 최적 값은 0이며 최대 전기장 기울기의 비 대칭성 매개변수 .eta. 는 0.25 근방임이 밝혀졌다. 이 경우의 Mossbauer spectra 컴퓨터 모사는 실험결과와 잘 일치하고 있다....

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Dielectric Study of Allyl Chloride with 2-Pentanone and 2-Hexanone in Microwave Frequency Range

  • Sudake, Yuvraj;Kamble, Siddharth;Maharolkar, Aruna;Patil, Sunil;Khirade, Prakash;Mehrotra, Suresh
    • Bulletin of the Korean Chemical Society
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    • 제33권10호
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    • pp.3423-3426
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    • 2012
  • Dielectric measurement on binary mixtures of Allyl chloride (ALC) with 2-Pentanone (2-PE) and 2-Hexanone (2-HE) has been carried out over the entire concentration range using Time Domain Reflectometry (TDR) technique at various temperatures in microwave frequency range of 10 MHz to 10 GHz. The static dielectric constant, excess static dielectric constant (${\varepsilon}^E_S$), effective Kirkwood correlation factor ($g^{eff}$) of binary mixtures over entire concentration range were determined to study the effect of increasing alkyl group of ketones on hetero molecular interaction. It was found that magnitude of excess static dielectric constant of mixtures increases with increase of alky group of ketones. The study reveals that the dipole moment of Allyl chloride in mixture have antiparallelism tendency where as 2-pentanone and 2-hexanone have parallelism tendency. Excess static dielectric constant is also fitted to Redlich-Kister equation to get information about rates of multimers formation.

Ab initio MRCI+Q Investigations of Spectroscopic Properties of Several Low-lying Electronic States of S2+ Cation

  • Li, Rui;Zhai, Zhen;Zhang, Xiaomei;Liu, Tao;Jin, Mingxing;Xu, Haifeng;Yan, Bing
    • Bulletin of the Korean Chemical Society
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    • 제35권5호
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    • pp.1397-1402
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    • 2014
  • The complete active space self-consist field method followed by the internally contracted multireference configuration interaction method has been used to compute the potential energy curves of $X^2\prod_g$, $a^4\prod_u$, $A^2\prod_u$, $b^4\sum_{g}^{-}$, and $B^2\sum_{g}^{-}$ states of $S{_2}^+$ cation with large correlation-consistent basis sets. Utilizing the potential energy curves computed with different basis sets, the spectroscopic parameters of these states were evaluated. Finally, the transition dipole moment and the Franck-Condon factors of the transition from $A^2\prod_u$ to $X^2\prod_g$ were evaluated. The radiative lifetime of $A^2\prod_u$ is calculated to be 887 ns, which is in good agreement with experimental value of $805{\pm}10$ ns.

Photo-induced chemical change of di-fluoride in the CYTOP doped graphene

  • Yang, Mi-Hyun;Manoj, Sharma;Ihm, Kyuwook;Ahn, Joung Real
    • 한국진공학회:학술대회논문집
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    • 한국진공학회 2015년도 제49회 하계 정기학술대회 초록집
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    • pp.115-115
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    • 2015
  • Many efforts have been devoted on chemical modification of graphene layer to modulate its electrical properties. In the previous report, laser irradiation on the CYTOP (Amorphous Fluoropolymer) covered graphene layer induces chemical modification wherein carbon fluoride is formed on the graphene surface. This results in the insulating I-V characteristics, which have been attracting much research interests on it. However, the direct analytical evidence of the fluoride formation on graphene surface is not yet studied. In this work we investigated what happened on the CYTOP/graphene interface during photon irradiation using spatially resolved photoemission spectroscopy method. It is found that the soft x-ray (614 eV) induces desorption of fluoride atoms from the CYTOP and change di-fluoride form to mono-fluoride. As the photo-induced fluorine desorption is continue strong dipole field generated by initial di-fluoride forms is gradually decreased, resulting in the overall binding energy shift of the C 1s core levels. Both photo-modified CYTOP and CYTOP starts to desorb above $286^{\circ}C$ (~ 0.047 eV), which means that no strong chemical interaction between CYTOP and graphene is established.

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RF Sputtering 으로 제작한 SrTiO$_3$ 박막 특성에 미치는 Ti 중간층의 영향 (A Study on the Effects of Ti interlayer on the Properties of RF Sputtering SrTiO$_3$ Thin Films)

  • 정천옥;김병인;이정재;김창석;송철
    • 한국전기전자재료학회:학술대회논문집
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    • 한국전기전자재료학회 1997년도 춘계학술대회 논문집
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    • pp.8-11
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    • 1997
  • This study makes SrTiO$_{3}$ with nonpolarity among ferroelectrics by RF sputtering as dielectric layer, produces thin film of Si/SrTiO$_{3}$ and Si/Ti/SrTiO$_{3}$ of MOS structure using Ti as buffer layer, measures and examines the electrical features with optical refractive index, absorption rate, permittivity, photon energy and as a result, ferroelectrics oscillation occurrs by the interaction within a film by light temperature and the absorption of thin film with Ti as buffer layer is increased. It is found that the pea\ulcorner of permittivity value of Ti/SrTiO$_{3}$ thin film has low values and is appeared late and as dipole which is found in dielectric is shown, the experiment satisfies the theory In the nature of permittivity by photon energy, imaginary value is higher and current variation slope of thin film of thickness SrTiO$_{3}$ has lower values in reverse bias.

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아조벤젠이 기능화된 덴드리머 유기단분자막의 광학적 거동 (Optical Behavior of Azobenzene Functionalized Dendrimer in Organic Monolayers)

  • 신훈규;손정호;김병상;권영수
    • 한국전기전자재료학회논문지
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    • 제15권7호
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    • pp.627-633
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    • 2002
  • Many isolated featureless domains were explicitly observed even at the air-water interface. We measured the surface pressure shift originating from the photo-isomerization of azobenzene units on the periphery of dendrimers. The maximum surface pressure was gradual1y increased and saturated by cyclic compression and decompression. By irradiation of 365 [nm] light, the surface pressure was increased, which was originated by the photo-isomerization process of the azobenzene group on the periphery from trans to cia form. The increase of the dipole moment ($\mu$), which may increase the interaction among Azo dendrimer molecules, made an important role on surface pressure shift. From the absorbance spectrum by UV irradiation and heat treatment, we can see that the absorbance in the UV region decreases with the increase of the UV irradiation time, but the peak at 350 m, characteristic of dendrimers in the LB monolayers, was not shifted until four irradiation cycles. This suggests that optical behavior and morphological change are affected by the functional group and the symmetric chain.

Shroud 형상에 대한 해석적 연구 및 '프로벨러 홴' 소개 (Computational Study of the Shr oud Shape & the ProBeller Fan)

  • 한재오;유승훈;모진용
    • 한국전산유체공학회:학술대회논문집
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    • 한국전산유체공학회 2008년도 춘계학술대회논문집
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    • pp.638-641
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    • 2008
  • Computational investigation was conducted to study the effects of the shape parameter of shroud on the performance of the outdoor unit of an air-conditioners. For this study the Design of Experiment(4-factor 3-level) was created and the an automatic program was composed using VBA to reduce the load of pre-process for CFD. The estimated mathematical equation was produced from this analysis and it was found that the gap between fan and shroud affects more heavily than the other parameters. As a result, the composition of the best parameters was verified that its flow rate was increased by 10 percents and sound pressure level was reduced by 1.2 dBA compare with the worst. And finally, a kind of Propeller fan with blades which were attached to the shroud, so-called 'ProBeller Fan' was introduced in this study.

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Voltammetric Studies of Diazocalix[4]crown-6 for Metal Ion Sensing

  • Dong, Yun-Yan;Kim, Tae-Hyun;Lee, Chang-Seuk;Kim, Hyun-Jung;Lee, Jae-Hong;Lee, Joung-Hae;Kim, Ha-Suck;Kim, Jong-Seung
    • Bulletin of the Korean Chemical Society
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    • 제31권12호
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    • pp.3549-3552
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    • 2010
  • The complex formation between diazocalix[4]dipropyl (1) and diazocalix[4]crown-6 ether (2) with alkali, alkaline earth and transition metal ions was investigated by voltammetry. Electrochemical properties of compounds 1 and 2 and their selectivity toward metal ions were evaluated in $CH_3CN$ solution by comparison of voltammetric behaviors of two phenols in each compound. Compounds 1 and 2 showed almost same voltammetric behavior which is two irreversible oxidation peaks caused by intramolecular hydrogen bonding between two phenols in 1 and 2. While, however, upon interacting with various metal ions, 1 with two propyl ether groups showed no significant changes in voltammetry, 2 with crown ether group caused significant voltammetric changes upon the addition of $Ba^{2+}$ to 2. Their behavior is closely related to the complex formation by entrapment of metal ion into crown ether cavity, and ion-dipole interaction between metal ion and two phenolic groups in calix[4]crown-6.