• 한국세라믹학회지
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• 제40권10호
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• pp.925-930
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• 2003

The dielectric polarizability-related factors contributing to the $\tau$$_{\varepsilon}$ have been analysed in terms of dielectric permittivity $\varepsilon$, Tolerance Factor (TF), and octahedron tilt angles in (1-x)CaTi $O_3$-x[A(B', B″) $O_3$] (A=Ca, La, Li, B'=Al, Fe, Mg, B″=Nb, Ta) and (S $r_{0.2}$C $a_{0.8}$)( $Ti_{1-x}$ Z $r_{x}$) $O_3$. All the compounds have the orthorhombic Pbnm structure except the end members A(B', B″) $O_3$ and the solid solutions of x$\geq$0.8. The additional dipole field effect is suggested as a dominant factor contributing to $\tau$$_{\varepsilon}$ in CaTi $O_3$-based ceramics having relatively large $\varepsilon$, which has not been generally considered in the previous reports dealing with the $\tau$$_{\varepsilon}$. This study has been focussed on delineating the dipole field effect on the $\tau$$_{\varepsilon}$ in comparison to the octahedron tilt effect in CaTi $O_3$-based ceramics.cs..cs.

• 한국재료학회지
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• 제17권8호
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• pp.442-446
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• 2007

Microwave dielectric properties of $0.85CaWO_4-0.15LnNbO_4$ (Ln = La, Sm) ceramics were investigated as a function of the sintering temperature and $Li_2WO_4$ content from 0.8 wt.% to 1.5 wt.%. A single phase with tetragonal scheelite structure was obtained at a given composition ranges. For the specimens with $Li_2WO_4$, the sintering temperature could be effectively reduced from $1150^{\circ}C$ to $900^{\circ}C$ due to the enhancement of sinterability. Dielectric constant (K) of the specimens with $LaNbO_4$ and $SmNbO_4$ was increased with the increase of sintering temperature and/or $Li_2WO_4$ content. However, K of the specimens with $LaNbO_4$ was higher than that of $SmNbO_4$ due to the larger dielectric polarizability $(\alpha)$ of $LaNbO_4$ ($18.08{\AA}$) than that of $SmNbO_4$ ($16.75{\AA}$). With an increase of $Li_2WO_4$ content, Qf value of the specimens with $SmNbO_4$ was decreased, while that of the specimens with $LaNbO_4$ was increased. Temperature coefficient of resonant frequency (TCF) was increased with the increase of $Li_2WO_4$ content.

• 대한화학회지
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• 제36권4호
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• pp.485-495
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• 1992

기체 및 액체 상태의 여러가지 유기화합물(alcohol, acetate, alkane, acid 및 substituted NH$_2$)과 이성분계 혼합용액(n-alkane/1-chloroalkane)에 대한 점성도를 계산하기 위하여, 분자의 크기, 가지의 형태, 환상구조, 불포화의 정도, 분극성 등이 분자의 성질에 미치는 영향을 잘 설명하여 주는 molecular connectivity index, Wiener index 및 ad hoc descriptor 방법을 이용하였다. 그 결과 기체 상태에 대해서는 Wiener index 방법이, 액체 상태에 대해서는 ad hoc descriptor 방법이 그리고 이성분계에 대해서는 molecular connectivity index 방법이 우수한 방법임을 알 수 있었으며, 각각의 방법으로 구한 최적 상관관계식을 이용하여 점성도를 계산하였고, 이와 같이 구한 이론치와 점성도의 실측치를 비교할 때, 매우 잘 일치하는 결과를 얻을 수 있었다.

• Bulletin of the Korean Chemical Society
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• 제32권1호
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• pp.179-182
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• 2011

Second-order rate constants ($k_{OH^-}$) have been measured spectrophotometrically for reactions of Y-substituted phenyl phenyl thionocarbonates (4a-i) with $OH^-$ in 80 mol % $H_2O$/20 mol % DMSO at $25.0{\pm}0.1^{\circ}C$. The $k_{OH^-}$ values for the reactions of 4a-i have been compared with those reported previously for the corresponding reactions of Y-substituted phenyl phenyl carbonates (3a-i) to investigate the effect of changing the electrophilic center from C=O to C=S on reactivity and mechanism. Thionocarbonates 4a-i are less reactive than the corresponding carbonates 3a-i although 4a-i are expected to be more reactive than 3a-i. The Bronsted-type plot for reactions of 4a-i is linear with $\beta_{lg}$ = -0.33, a typical $\beta_{lg}$ value for reactions reported to proceed through a stepwise mechanism with formation of an intermediate being the rate-determining step (RDS). Furthermore, the Hammett plot correlated with $\sigma^o$ constants results in much better linearity than that correlated with $\sigma^-$ constants, indicating that expulsion of the leaving group is not advanced in the RDS. Thus, alkaline hydrolysis of 4a-i has been concluded to proceed through a stepwise mechanism with formation of an intermediate being RDS, which is in contrast to the forced concerted mechanism reported for the corresponding reactions of 3a-i. Enhanced stability of the intermediate upon modification of the electrophilic center from C=O to C=S has been concluded to be responsible for the contrasting mechanisms.

• 한국응용과학기술학회지
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• 제31권3호
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• pp.525-533
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• 2014

금속이 도핑 된 산화아연 나노클러스터를 합성하기 위해 마이크로웨이브를 이용한 폴리올 공정은 빠르고 경제적인 합성 방법이다. 디에틸렌글리콜은 높은 분극률과 마이크로파의 흡수 능력이 뛰어나며, 높은 온도상승 비율과 반응시간을 짧게 해준다. 본 연구에서는 금속이 도핑 된 산화아연 나노클러스터를 합성하기 위해서 첨가되는 seed의 부피비를 다르게 하여 얻었으며, 전구체로는 아세트산 아연 2수화물, 도핑 금속은 아세트산 금속 염을 그리고 용매로서 디에틸렌글리콜을 사용하였다. 금속이 도핑된 산화아연 클러스터는 FE-SEM, XRD, Raman, PSA로 특성을 확인하였다.

• Bulletin of the Korean Chemical Society
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• 제15권10호
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• pp.857-860
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• 1994

We have calculated the ${\pi}$-electron density, atom self-polarizability, and free valence on each atom of N-(2-chlorobenzyl)-pyridinium, N-(benzyl)-2-chloropyridinium, and N-(2-chlorobenzyl)-2-chloropyridinium salts using a simple Huckel method in order to discuss their intramolecular photocyclization reaction in a qualitative method. Our calculation qualitatively predicts that photocyclization occurs through forming radicals as a reaction intermediate by breaking a C-Cl bond after photoexcitation into a triplet state via intersystem crossing from an initially excited singlet state. We noticed that this C-Cl bond breaking is aided by ${\pi}$-complex formation between a chlorine atom and the ${\pi}$ -electrons of the neighboring ring in the triplet state and a stronger ${\pi}$-complex bond makes C-Cl bond breaking, i.e., radical formation, much easier. A chlorine atom will form a stronger ${\pi}$ -complex bond to a benzyl ring of N-(benzyl)-2-chloropyridinium than a pyridinium ring of N-(2-chlorobenzyl)-pyridinium because the former can donate its ${\pi}$-electron more easily than the latter. The chlorine at position 15 of N-(2-chlorobenzyl)-2-chloropyridinium salt in the excited state also provides its ${\pi}$-electron to the benzyl ring. So this ${\pi}$-electron can increase the bond strength of the $\pi-complex.$ Therefore, the strength of ${\pi}$-complex follows the order of N-(2-chlorobenzyl)-2-chloropyridinium, N-(benzyl)-2-chloropyridinium, and N-(2-chlorobenzyl)-pyridinium salts and thus the radical formation rate. This provides us with an intramolecular photocyclization reaction rate of the same order as given above.

• Current Optics and Photonics
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• 제8권3호
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• pp.230-238
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• 2024

The refractive index is a key material-design parameter, especially for high-refractive-index glasses, which are used for precision optics and devices. Increased demand for high-precision optical lenses produced by the glass-mold-press (GMP) process has spurred extensive studies of proper glass materials. B₂O₃, SiO₂, and multiple heavy-metal oxides such as Ta₂O₅, Nb₂O₅, La₂O₃, and Gd₂O₃ mostly compose the high-refractive-index glasses for GMP. However, due to many oxides including up to 10 components, it is hard to predict the refractivity solely from the composition of the glass. In this study, the refractive index of optical glasses based on the B₂O₃-La₂O₃-Ta₂O₅-SiO₂ system is predicted using machine learning (ML) and compared to experimental data. A dataset comprising up to 271 glasses with 10 components is collected and used for training. Various ML algorithms (linear-regression, Bayesian-ridge-regression, nearest-neighbor, and random-forest models) are employed to train the data. Along with composition, the polarizability and density of the glasses are also considered independent parameters to predict the refractive index. After obtaining the best-fitting model by R² value, the trained model is examined alongside the experimentally obtained refractive indices of B₂O₃-La₂O₃-Ta₂O₅-SiO₂ quaternary glasses.

• 농약과학회지
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• 제2권3호
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• pp.64-69
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• 1998

기질(S) 화합물로 30종의 5,6-dihydro-2-trifluoromethyl-1,4-oxathiin carboxanilide 유도체들을 합성하고 벼 잎집무늬 마름병균(Rhizoctonia solani)과 밀 붉은 녹병균(Puccinia recondita)에 대한 항균활성(in vivo) 값($pI_{50}$)을 측정하였다. (S)는 잘록병균보다 밀 붉은녹병균에 대하여 보다 큰 항균활성을 나타내었으며 두 종의 균에 대하여 3-methoxy, 11, 3-iso-propyloxy, 13 및 3-iso-propyl 치환체, 25가 제일 큰 활성을 보였다. 그리고 치환(X)-phenylcarbamoyl group의 변화에 따른 물리-화학 파라미터와 항균활성($pI_{50}$)으로부터 구조-활성관계(SAR)를 검토 한 결과, 벼 잎집무늬 마름병균에 대하여는 공명효과에 따른 전자밀게(R<0)의 소수성이 큰(${\pi}>0$) m-alkyl 치환기(X)가, 그리고 밀 붉은녹병균에 대하여는 분자 분극율(Sp.Pol.)과 분자의 음하전(ABSQ<0)을 위시하여 HOMO에너지(e.v.)가 클수록(HOMO<0) 높은 항균활성을 나타내었다. 또한, 전하-조절 반응에 의한 수용체-(S)간의 상호작용과 높은 활성발현 조건들이 검토되었다.

• 한국세라믹학회지
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• 제40권4호
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• pp.323-327
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• 2003

Microwave dielectric properties of (P $b_{0.4}$C $a_{0.6}$)[($Fe_{\frac{1}{2}}$N $b_{\frac{1}{2}}$)$_{1-x}$ (M $g_{1}$ 3/N $b_{2}$ 3/)x] $O_3$ (PCFMN) ceramics were investigated as a function of (M $g_{1}$ 3/N $b_{2}$ 3/)$^{4+}$ content (0.1$\leq$x$\leq$0.8). A single perovskite phase with the cubic structure was obtained through the given composition range. The unit cell volume was increased with (M $g_{1}$ 3/N $b_{2}$ 3/)$^{4+}$, due to the larger average ionic size of (M $g_{1}$ 3/N $b_{2}$ 3/)$^{4+}$ than that of ($Fe_{\frac{1}{2}}$N $b_{\frac{1}{2}}$)$^{4+}$ for B-site ion. Dielectric constant (K) and Temperature Coefficient of Resonant Frequency(TCF) of PCFMN ceramics were dependent on (M $g_{1}$ 3/N $b_{2}$ 3/)$^{4+}$ content due to the decrease of ionic polarizability and B-site bond valence, respectively. Qf value was decreased with (M $g_{1}$ 3/N $b_{2}$ 3/)$^{4+}$ content due to the decrease of grain size. Typically, K of 73.56, Qf of 5,074 GHz and TCF of -6.45 ppm/$^{\circ}C$ were obtained for the specimens with x=0.4 sintered at 125$0^{\circ}C$ for 3 h.125$0^{\circ}C$ for 3 h.

• 대한화학회지
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• 제18권4호
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• pp.223-238
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• 1974

염화포름산 알킬의 할로겐화 이온 교환반응을 반응속도론적으로 연구하고, 이의 전자 구조적 특성을 CNDO/2 MO계산으로 연구하였으며 이로부터 구조와 반응성 간의 관계를 논의하였다. 염화포름산 알킬의 에너지면에서의 가장 안정한 입체배치가 알킬기와 염소원자 사이가 서로 트랜스인 입체배치임을 알았으며, 결합주위의 회전장애가 {\pi}-전자 비편재화에 기인됨을 밝혔다. 염화포름산 알킬은 하전분리가 심한 극성물질이며, 이것이 카르보닐 산소와 알콕시 산소의 효과 및 염소의 효과에 기인됨을 밝혔다. 반응속도에 미치는 용매효과는 $(CH_3)_2CO>CH_3CN{\gg}MeOH$순으로 반응성이 감소되는 작용을 나타냈으며, 친핵성도는 양성자성 용매중에서 $I^->Br^->Cl^-$, 비양자성 용매 중에서 $Cl^->Br^->I^-$이었으며 알킬기의 기여는 $CH_3->C_2H_5->i-C_3H_7-$순이었다. 초기상태와 천이상태의 안정화 기여를 기초로 용매효과를 해석하였으며 초기상태 탈용매화의 특성으로 친핵성도를 논의하였다. 이 반응에 대하여 가장 유리한 메카니즘을 첨가-제거 메카니즘으로 제안하였다. 염화포름산 알킬의 반응성을 결정하는 구조적 요인은 하전, C-Cl 결합에 대하여 ${\alpha}^{\ast}$인 LUMO의 에너지준위 및 이 MO에서 C-Cl결합의 반결합세기임을 밝혔다.