• Title/Summary/Keyword: Donor-acceptor interaction

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A Study on Shock Transmission of Pyrotechnic Initiator (격벽착화기 내 충격 전달에 관한 연구)

  • Kim, Bohoon;Kim, Minsung;Yoh, Jai-ick
    • 한국연소학회:학술대회논문집
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    • 2015.12a
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    • pp.223-226
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    • 2015
  • A pyrotechnic system that consists of donor/acceptor pair separated by a gap relies on shock attenuation characteristics of the gap material and shock sensitivity of the donor and acceptor charges. We apply a level-set based multimaterial hydrocode with reactive flow models for pentolite donor and heavily aluminized RDX as acceptor charge. The complex shock interaction, critical gap thickness, acoustic impedance, and go/no-go characteristics of the pyrotechnic system are quantitatively investigated.

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Study for Energy Transfer from Rhodamine 6G to Malachite Green Using Time Correlated Single Photon Counting Method (시간상관 단일광자 계수법에의한 Rhodamine 6G에서 Malachite Green으로의 에너지 전달 연구)

  • Kim, Hyun-Soo;Eom, Hyo-Soon;Choi, Gyu-Kwan;Jeong, Hong-Sik;Kim, Ung
    • Korean Journal of Optics and Photonics
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    • v.2 no.4
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    • pp.203-208
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    • 1991
  • We investigated the nonradiative energy transfer process from Rhodamine 6G to Malachite Green in ethylen glycol solvent using time correlated single photon counting system equipped with a modelocked Ar ' laser. The reduced concentration and critical transfer distance for various acceptor concentration were obtained by using a full-fitting analysis of the fluorescence decay curves. We found that Huber model is more suitable than Forster model and the influence of energy migration through the dipole-dipole interaction becomes more significant for the low acceptor concentrations relative to the donor concentration($5\times 10^4$mol/l).

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Silsesquioxane/Polystyrene Hybrid Materials via Charge Transfer Interactions (전하 이동을 이용한 실세스퀴옥산/폴리스티렌 하이브리드)

  • Choi, Ji-Won;Chujo, Yoshiki
    • Polymer(Korea)
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    • v.31 no.2
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    • pp.136-140
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    • 2007
  • Charge transfer interaction as a hybridization mechanism of silsesquioxane/polymer was tested using carbazole (electron donor) group and dinitrobenzene (electron acceptor) group. Hybridization test was conducted using films made from mixing/casting of poly (carbazole-styrene) (PS/D) and dimtrobenzyl silsesquioxane (Cube/A), and transparent hybrid films were successfully obtained under some conditions. $^1H-NMR$ of PS/D and Cube/A, and W absorption test of hybrid films showed that one acceptor and one donor can form one charge transfer complex when no silsesquioxane molecule was included in films, but transparent hybrids with no phase separation were obtained only at acceptor/donor ratios less than 0.7 : 1. These results also suggested that on average 4 charge transfer complexes form per one silsesquioxane.

Two-Photon Absorption Cross Sections of Dithienothiophene-Based Molecules

  • Chung, Myung-Ae;Lee, Kwang-Sup;Jung, Sang-Don
    • ETRI Journal
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    • v.24 no.3
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    • pp.221-225
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    • 2002
  • We performed nonlinear transmission measurements and quantum-chemical calculations on dithienothiophene(DTT)-based molecules to gain insight into the effect of acceptor and donor groups on two-photon absorption(TPA) properties. The TPA intensity showed dispersion characteristics of the single-photon absorption spectrum. When the molecules included an asymmetric donor-acceptor pair, the single- and two-photon absorption maximum wavelengths were red-shifted more than when the molecules had a symmetric donor-donor structure. We interpreted this result as indicating that the $S_2$ state plays the dominating role in the absorption process of molecules with a symmetric structure. The experimental TPA ${\delta}$ values at the absorption peak wavelength showed a dependence on the structural variations. We found the self-consistent force-field theory and Hartree-Fock Hamiltonian with single configuration interaction formalism to be valid for evaluating TPA ${\delta}$. Although the quantum-chemical calculations slightly underestimated the experimental ${\delta}$ values obtained from nonlinear trans -mission measurements, they reasonably predicted the dependence of the ${\delta}$ value on the structural variations. We confirmed the role of molecular symmetry by observing that donor-donor substituted structure gave the highest experimental and theoretical TPA ${\delta}$ values and that the donor-acceptor substituted structure showed a greater red-shift in the TPA absorption maximum wavelength. Overall, the theoretical ${\delta}$ values of DTT-based molecules were in the order of $10^{-46}\;cm^4{\cdot}s{\cdot}photon^{-1}$ and are higher than that of AF-50 by nearly two orders of magnitude.

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Porous Organic-inorganic Hybrids for Removal of Amines

  • Cho, Sung-Youl;Kim, Na-Ri;Cao, Guozhong;Kim, Joong-Gon;Chung, Chan-Moon
    • Bulletin of the Korean Chemical Society
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    • v.27 no.3
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    • pp.399-402
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    • 2006
  • Porous organic-inorganic hybrids have been prepared from tetraethylorthosilicate (TEOS) and organosilane precursors by sol-gel method. Two organosilanes, 3-(2,4-dinitrophenylamino)propyltriethoxysilane (DNPTES) and N-[[(2-nitrophenyl)methoxy]carbonyl]-3-triethoxysilylpropylamine (NPTES) were used to incorporate electron-accepting (di)nitrophenyl groups into the hybrids. The hybrids were characterized by FT-IR spectroscopy and elemental analysis, and their pore characteristics were studied by nitrogen sorption porosimetry. Surface area of the hybrids ranged from 563 to 770 $m^2$/g, pore volume, 0.23-0.30 $cm^3$/g, and porosity, 35-41%. It was demonstrated by UV-vis spectroscopy that aniline, ethylenediamine, and 1-aminonaphthalene could be removed from their hexane solutions in the presence of the hybrid powders. The removal of amines is attributable to donor-acceptor interaction between the electron-donating amines and electron-accepting (di)nitrophenyl moiety.

Variation in IR and Raman Spectra of CD3CN upon Solvation of InCl3 in CD3CN: Distinctive Blue Shifts, Coordination Number, Donor-Acceptor Interaction, and Solvated Species

  • Cho, Jun-Sung;Cho, Han-Gook
    • Bulletin of the Korean Chemical Society
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    • v.30 no.4
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    • pp.803-809
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    • 2009
  • Notable blue shifts of the ν2 $C{\equiv}N$ stretching, $_{v4}$ C-C stretching and $_{v8}$ CCN deformation bands of $CD_3CN$ are observed upon solvation of $InCl_3$, resulting from the donor-acceptor interaction. The Raman spectrum in the $_{v2}$ region shows further details; at least two new bands emerge on the blue side of the $_{v2}$ band of free $CD_3CN$, whose relative intensities vary with concentration, suggesting that there exist at least two different cationic species in the solution. The strong hydrogen bonds formed between the methyl group and ${InCl_4}^-$ result in a large band appearing on the red side of the ν1 $CD_3$ symmetric stretching band. The solvation number of $InCl_3$, determined from the Raman intensities of the $C{\equiv}N$ stretching bands for free and coordinated $CD_3CN$, increases from $\sim$1.5 to $\sim$1.8 with decreasing concentration.

Charge-Transfer Complexing Properties of 1-Methyl Nicotinamide and Adenine in Relation to the Intramolecular Interaction in Nicotinamide Adenine Dinucleotide (NAD$^+$)

  • Park, Joon-woo;Paik, Young-Hee
    • Bulletin of the Korean Chemical Society
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    • v.6 no.1
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    • pp.23-29
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    • 1985
  • The charge-transfer complexing properties of 1-methyl nicotinamide (MNA), an acceptor, and adenine, a donor, were investigated in water and SDS micellar solutions in relation to the intramolecular interaction in nicotinamide adenine dinucleotide ($NAD^+$). The spectral and thermodynamic parameters of MNA-indole and methyl viologen-adenine complex formations were determined, and the data were utilized to evaluate the charge-transfer abilities of MNA and adenine. The electron affinity of nicotinamide was estimated to be 0.28 eV from charge-transfer energy $of{\sim}300$ nm for MNA-indole. The large enhancement of MNA-indole complexation in SDS solutions by entropy effect was attributed to hydrophobic nature of indole. The complex between adenine and methyl viologen showed an absorption band peaked near 360 nm. The ionization potential of adenine was evaluated to be 8.28 eV from this. The much smaller enhancement of charge-transfer interaction involving adenine than that of indole in SDS solutions was attributed to weaker hydrophobic nature of the donor. The charge-transfer energy of 4.41 eV (280 nm) was estimated for nicotinamide-adenine complex. The spectral behaviors of $NAD^+$ were accounted to the presence of intramolecular interaction in $NAD^+$, which is only slightly enhanced in SDS solutions. The replacement of nicotinamide-adenine interaction in $NAD^+$ by intermolecular nicotinamide-indole interaction in enzyme bound $NAD^+$, and guiding role of adenine moiety in $NAD^+$ were discussed.

The Effects of $Ca^{2+}$on the Interaction of Nonionic Surfactant with Iodine in Aqueous Solution (수용액 중에서 비이온성 계면활성제와 요오드간의 상호작용에 미치는 $Ca^{2+}$의 영향)

  • Kwon Oh-Yun;Paek U-Hyon
    • Journal of the Korean Chemical Society
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    • v.36 no.5
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    • pp.621-626
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    • 1992
  • The effects of $Ca^{2+}$ ion on the charge transfer(CT) interaction of $4-(C_9H_{19})C_6H_4O(CH_2CH_2O)_{40} [NP-(EO)_{40}]$ with iodine in aqueous solution were investigated by UV-visible spectrophotometer. Maximum absorption wavelengths to the CT interaction were in the vicinity of 390 nm, and by the addition of $Ca^{2+}$ ion shifted toward 370 nm. Above CMC, the intensity of the CT interaction by the addition of $Ca^{2+}$ ion were increased and then decreased. The increase in the intensity of CT band were attributed to the increase of the donor-acceptor overlap with iodine caused by the compactness of micelle in the presence of $Ca^{2+}$ ion. These phenomena suggest that the linear oxyethylene(EO) chains, relatively free to assume various configuration in aqueous solution, could form a pseudo-crown ether structures capable of forming complexes with $Ca^{2+}$ ion.

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A Study on Shock-induced Detonation in Gap Test (충격 전달에 의한 Gap Test의 폭굉 반응 해석)

  • Kim, Bohoon;Kang, Wonkyu;Jang, Seung-gyo;Park, Jungsu;Yoh, Jai-ick
    • Journal of the Korean Society of Propulsion Engineers
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    • v.20 no.2
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    • pp.75-85
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    • 2016
  • A pyrotechnic system consisting of donor/acceptor pair separated by a gap relies on shock attenuation characteristics of the gap material and shock sensitivity of the donor and acceptor charges. Despite of its common use, numerical study of such pyrotechnic train configuration is seldom reported because proper modeling of the full process requires precise capturing of the shock wave attenuation in the gap prior to triggering a full detonation of high explosive and accurate description of the high strain rate dynamics of the explosively loaded inert confinements. We apply a Eulerian level-set based multimaterial hydrocode with reactive flow models for pentolite donor and heavily aluminized RDX as acceptor charge. The complex shock interaction, critical gap thickness, acoustic impedance, and go/no-go characteristics of the gap test are quantitatively investigated.

Fluorescence Behavior Associated with a Possible Intercolumnar Charge-transfer Interaction in the Crystalline State of a Dyad Consisting of Mesitylene and 1,4-Dicyano-2-methylnaphthalene Subunits

  • Ohta, Eisuke;Kobayashi, Hitoshi;Sakai, Atsushi;Matsui, Yasunori;Sato, Hiroyasu;Ikeda, Hiroshi
    • Rapid Communication in Photoscience
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    • v.4 no.2
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    • pp.31-33
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    • 2015
  • Fluorescence (FL) properties of a novel donor-acceptor dyad, comprised of mesitylene and 1,4-dicyano-2-methylnaphthalene (DCMN) subunits connected by an ether linkage, were elucidated. The dyad in cyclohexane exhibits FL arising from an intramolecular exciplex. In the crystalline state, the dyad does not emit light from intra- and inter-molecular exciplexes but rather displays FL that is nearly equivalent to that of 2-methoxymethyl-substituted DCMN. However, the emission spectrum of the crystalline dyad contains a shoulder in the long wavelength region, suggesting that weak intercolumnar charge-transfer interactions take place between columns consisting of the mesitylene and DCMN subunits.