• Title/Summary/Keyword: Donor-acceptor interaction

검색결과 38건 처리시간 0.027초

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

  • 김보훈;김민성;여재익
    • 한국연소학회:학술대회논문집
    • /
    • 한국연소학회 2015년도 제51회 KOSCO SYMPOSIUM 초록집
    • /
    • pp.223-226
    • /
    • 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.

  • PDF

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

  • 김현수;엄효순;최규관;정홍식;김웅
    • 한국광학회지
    • /
    • 제2권4호
    • /
    • pp.203-208
    • /
    • 1991
  • 모드동기된 아르곤 이온 레이저를 여기광원으로 사용한 시간상관 단일광자 계수장치를 이용하여 에틸렌글리콜 용매 내에서 Rhodamine 6G에서 Malachite Green으로의 비복사 에너지전달과정을 연구하였다. 측정된 donor의 형광소멸곡선을 full-fitting 방법으로 분석 처리하여 acceptor 농도의 변화에 따른 환산농도와 임계전이거리를 구했다. donor의 농도가 acceptor의 농도 보다 클때는 donor-donor의 원거리 쌍극자 모멘트에 의한 에너지 이주 효과를 고려해야하며 Forster 모델 보다 Huber 모델이 더 적절하였다.

  • PDF

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

  • 최지원;요시키 주조
    • 폴리머
    • /
    • 제31권2호
    • /
    • pp.136-140
    • /
    • 2007
  • Carbazole(electron donor)그룹과 dinitrobenzene(electron acceptor)그룹을 이용하여 전하 이동 작용이 실세스퀴옥산/고분자 하이브리드의 형성 메커니즘으로서 작용할 수 있는지 살펴보는 연구를 진행하였다. 하이브리드 실험은 새롭게 합성된 Poly(carbazole-styrene) (PS/D)와 dinitrobenzyl silsesquioxane (Cube/A)의 톨루엔 용액을 혼합/캐스팅을 하여 만들어진 필름을 이용하였으며 상분리가 없는 투명한 하이브리드 필름이 일부 조건에서 얻어졌다. PS/D및 Cube/A의 $^1H-NMR$분석, 그리고 하이브리드 필름들의 UV 흡수 실험은 실세스퀴옥산에 의한 입체 장애 효과가 없는 조건에서는 acceptor와 donor가 1:1로 전하 이동 착물을 형성할 수 있지만, 상분리가 없는 투명한 실세스퀴옥산 하이브리드는 acceptor/donor의 비율이 0.7 : 1 이하에서 형성된다는 것을 보여주었다. 이 결과들은 또 실세스퀴옥산 한 분자 당 평균 4개의 전하 이동 착물이 형성된다는 하이브리드 나노 구조에 대한 정보도 제공하였다.

Two-Photon Absorption Cross Sections of Dithienothiophene-Based Molecules

  • Chung, Myung-Ae;Lee, Kwang-Sup;Jung, Sang-Don
    • ETRI Journal
    • /
    • 제24권3호
    • /
    • pp.221-225
    • /
    • 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.

  • PDF

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
    • /
    • 제27권3호
    • /
    • pp.399-402
    • /
    • 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
    • /
    • 제30권4호
    • /
    • pp.803-809
    • /
    • 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
    • /
    • 제6권1호
    • /
    • pp.23-29
    • /
    • 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.

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

  • 권오윤;백우현
    • 대한화학회지
    • /
    • 제36권5호
    • /
    • pp.621-626
    • /
    • 1992
  • 수용액 중에서 요오드와 $4-(C_9H_{19})C_6H4_O(CH_2CH_2O)_{40} [NP-(EO)_40]$간의 charge transfer(CT) 상호작용에 미치는 $Ca^{2+}$이온의 영향을 UV-visible spectrophotometer를 이용하여 조사하였다. CT 상호작용에 따른 최대 흡수는 390 nm 부근에서 나타났으며, $Ca^{2+}$ 이온 존재하에서는 370 nm 영역으로 이동되었다. 계면활성제 농도를 CMC 이상에서 고정시켰을 때, CT 상호작용에 따른 최대흡수곡선의 강도가 $Ca^{2+}$이온 첨가 농도에 따라 증가하다가 감소하는 변곡점을 보였다. CT 상호작용에 기인한 흡수곡선의 강도가 증가하는 것은 $Ca^{2+}$이온 존재하에서 미셀 구조가 더욱 조밀해진데 다른 요오드와의 donor-acceptor overlap 증가로 볼 수 있다. 이러한 현상들은 수용액 중에서 상대적으로 자유로이 여러가지 배향을 가질 수 있는 비이온성 계면활성제의 선형 oxyethylene(EO) 사슬이 유사 크라운 에테르 구조를 형성하여 $Ca^{2+}$이온과 착물을 형성할 수 있는 가능성을 보여준다.

  • PDF

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

  • 김보훈;강원규;장승교;박정수;여재익
    • 한국추진공학회지
    • /
    • 제20권2호
    • /
    • pp.75-85
    • /
    • 2016
  • 감쇠기를 사이에 두고 여폭약과 수폭약으로 충전된 파이로 착화기는 격벽의 압력 감쇠 현상과 고에너지 물질의 충격 점화 특성을 갖는다. 고폭약의 폭굉 반응 및 비반응 물질 통과에의 폭압 감쇠와 더불어 격벽의 형상 변화를 모사하기 위해서는 충격 전달에 의한 gap test의 폭굉 모델링이 필요하다. 본 연구에서는 오일러리안 레벨셋 기법이 적용된 다중물질 하이드로 코드를 사용하여 pentolite 작약과 열폭압 RDX의 폭발 반응 및 PMMA gap을 통과하는 충격파 전달을 해석함으로써 화약-격벽간 상호작용 및 임계 두께, 음향 임피던스, go/no-go 기폭 점화에 대한 특성을 정량화하였다.

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
    • /
    • 제4권2호
    • /
    • pp.31-33
    • /
    • 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.