• Bulletin of the Korean Chemical Society
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• 제25권10호
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• pp.1538-1544
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• 2004

Fragmentations and proton transfer reactions of mono-, di-, and triethanolamines were studied using FTMS. It was found that the most abundant fragment ion was $[M-CH_2OH]^+$. The $[M-CH_2OH-H_2O]^+$ was observed in the mass spectra of diethanolamine and triethanolamine. By increasing the ion trapping time in the ICR cell, the $[M+H]^+$ and $[M+H-H_2O]^+$ ions were notably increased for all the samples while the $[M+H-2H_2O]^+$ was observed in the mass spectra of diethanolamine and triethanolamine. The proton transfer reactions between the fragment ions and neutral molecules occurred predominantly by increasing the ion trapping time. The rate constants for the proton transfer reactions were calculated from experimental results. The proton transfer reaction of $CHO^+$ was the fastest one, which is consistent with the heats of reaction. The rate constants for proton transfer reactions of triethanolamine were much slower than those of ethanolamine and diethanolamine because of the steric hindered structure of triethanolamine. The plausible structures of observed ions and heats of reaction for proton transfer were calculated with AM1 semiempirical method.

• Bulletin of the Korean Chemical Society
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• 제10권6호
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• pp.488-491
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• 1989

Theoretical studies on the proton transfer reaction in a formamide dimer have been done by Ab initio SCF calculation. In this study, we have shown several effects on the potential energy profile of the proton transfer in a formamide dimer, such as the effect of a basis set, the effect of a geometry optimization, and the effect of a distance between proton-donor and proton-acceptor.

• The Journal of the Acoustical Society of Korea
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• 제16권1E호
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• pp.24-28
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• 1997

Ultrasonic relaxation measurements for imidazole and its derivative in phosphate buffer exhibit a high peak of absorption at neutral pH. Near neutral pH, protolysis and hydrosis may be neglected and the essential reaction only consists of a direct proton-exchange. The kinetics constants and the volume changes for the proton transfer reaction with the protonated imidazole and 2-methylimidazole have been determined at 25℃. The kinetics constants are 7.2×108s-1M-1for imidazole and 1.7×108s-1M-1 for 2-methylimidazole. The kinetics constants are used to estimate the spectrum of relaxation times and acoustic relaxation amplitude associated with intermolecular and intramolecular proton-exchange reactions in bilogical media. It is concluded that the magnitude of the acoustic absorption reasonalbly attributable to the perturbation of proton-transfer equilibria between imidazole and inorganic phosphate is comparable in magnitude with the acoustic absorption observed in some intact tissues.

• 한국방사선학회논문지
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• 제13권5호
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• pp.819-824
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• 2019

본 연구에서 서로 다른 양성자 에너지를 사용하여 핵반응에 의해 생성된 감마선의 차이를 통해 고에너지 양성자 Pb(p, nx) 핵반응에서 생성된 동위원소를 식별하는 방법을 제안했다. 한국원자력연구원의 100-M eV 양성자 선형 가속기에서 생성된 고 에너지 양성자를 이용하여 실험을 수행 하였다. 양성자 핵반응을 통해 생성된 다양한 핵종에 의해 생성된 감마선은 HPGe 검출기로 구성된 감마선 분광법 시스템을 사용하여 측정되었습니다. 감마선 표준선원은 감마선 검출기의 정확한 에너지교정 및 효율측정을 위해 사용되었습니다. 제안한 방법을 위하여 동일한 천연 납 시료에 서로 다른 100 및 60 MeV 양성자 에너지빔을 사용하였다. 이 방법은 동일한 시료에서 발생되는 감마선들을 서로 비교함으로써 생성된 핵종들을 확인하는데 매우 효과적임을 알 수 있었다. 이 연구의 결과는 향후 다른 양성자 핵반응 결과를 얻는데도 매우 효과적으로 적용될 것이라 생각된다.

• Bulletin of the Korean Chemical Society
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• 제27권4호
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• pp.539-544
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• 2006

Proton transfer reactions and ion-molecule reactions of bifunctional ethanes of $H_2NCH_2CH_2NH_2$, $H_2NCH_2CH_2OH$, and $HOCH_2CH_2OH$ were studied using Fourier transform mass spectrometry (FTMS). The rate constants for proton transfer reactions between the fragment ions and neutral molecules were obtained from the temporal variation of the ion abundances. The rate constants were consistent with the heats of reaction. The fastest proton transfer reactions were the reactions of $CH_2N^+$, $CHO^+$, and $CH_3O^+$ for $H_2NCH_2CH_2NH_2$, $H_2NCH_2CH_2OH$, and $HOCH_2CH_2OH$, respectively. The $[M+13]^+$ ion was formed by the ion-molecule reaction between $H_2C=NH_2 ^+$ or $H_2C=OH^+$ and the neutral molecule. The major product ions generated from the ion-molecule reactions between the protonated molecule and neutral molecule were $[2M+H]^+$, $[M+27]^+$, and $[M+15]^+$.

• Bulletin of the Korean Chemical Society
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• 제34권2호
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• pp.465-469
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• 2013

Proton transfer reaction is one of the most fundamental processes in chemistry and life science. Excited state intramolecular proton transfer (ESIPT) has been studied as a model system of the proton transfer, since it can be conveniently initiated by light. We report ESIPT reaction dynamic of 1-hydroxy-anthraquione (1-HAQ) in solution by highly time-resolved fluorescence. ESIPT time of 1-HAQ is determined to be $45{\pm}10$ fs directly from decay of the reactant fluorescence and rise of the product fluorescence. High time resolution allows observation of the coherent vibrational wave packet motion in the excited state of the reaction product tautomer. The coherently excited vibrational mode involves large displacement of the atoms, which shortens the distance between the proton donor and the acceptor. With the theoretical analysis, we propose that the ESIPT of 1-HAQ proceeds barrierlessly with assistance of the skeletal vibration, which in turn becomes excited coherently by the ESIPT reaction.

• Nuclear Engineering and Technology
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• 제32권4호
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• pp.361-371
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• 2000

The 123Te(p,n)123I, 124Te(p,n)124I and 124Te(p,2n)123I reactions, among the many reaction channels opened, are the major reactions under consideration from a diagnostic purpose because reaction residuals as the gamma emitters are used for most radiophamaceutical applications involving radioiodine. Based on the available experimental data, the absorption cross sections and elastic scattering angular distributions of the proton-induced nuclear reaction on Te isotopes below 60 MeV are calculated using the optical model code APMNK. The transmission coefficients of neutron, proton, deuteron, trition and alpha particles are calculated by CUNF code and are fed into the GNASH code. By adjusting level density parameters and the pair correction values of some reaction channels, as well as the composite nucleus state density constants of the pre-equilibrium model, the production cross sections and energy-angle correlated spectra of the secondary light particles, as well as production cross sections and energy distributions of heavy recoils and gamma rays are calculated by the statistical plus pre-equilibrium model code GNASH. The calculated results are analysed and compared with the experimental data taken from the EXFOR. The optimized global optical model parameters give overall agreement with the experimental data over both the entire energy range and all tellurium isotopes.

• 한국방사선학회논문지
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• 제9권1호
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• pp.55-59
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• 2015

양성자핵반응에 대한 연구는 현재 핵융합로의 재료 개발을 비롯하여 양성자치료 분야 등을 중심으로 활발하게 이루어지고 있다. 본 연구는 100 MeV 양성자 빔을 이용한 $^{27}Al(p,3p+n)^{24}Na$ 반응을 통하여 발생되는 지발 감마선(2754, 1386 keV) 스펙트럼을 고순도 HPGe 검출기를 이용하여 측정하였다. 실험에 사용되어진 양성자 빔은 양성자가속기연구센터(KOMAC)에 설치되어 있는 100 MeV 양성자선형가속기를 사용하였다. 측정된 감마선은 기존에 알려진 결과들과 비교분석하였다. 측정된 감마선의 강도는 고에너지 감마선 검출효율을 결정하는데 매우 중요한 정도를 제공 할 것으로 생각되어 진다.

• Bulletin of the Korean Chemical Society
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• 제27권2호
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• pp.197-202
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• 2006

In the reaction A + B $^\rightarrow_\leftarrow$ C, where A and B are ionic reactants having opposite charges, a B molecule approaching an A will experience a switching of the interaction potential when the A molecule is captured by one of the other B molecules in the medium. In the reversible case, the former B molecule still has a chance to react with the A, so that one needs to take into account the switched interaction between the reactant B and the product C as well as that between the reactants to treat the kinetics accurately. It is shown that this kind of interaction potential switching affects the relaxation kinetics in an intriguing way as observed in a recent experiment on an excited-state proton transfer reaction.

• Nuclear Engineering and Technology
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• 제48권2호
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• pp.482-494
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• 2016

The Feshbache-Kermane-Koonin (FKK) multi-step direct (MSD) theory of pre-equilibrium reactions has been used to compute the single-step cross-sections for some (p,${\alpha}$) reactions using the knock-on and pick-up reaction mechanisms at two incident proton energies. For the knock-on mechanism, the reaction was assumed to have taken place by the direct ejection of a preformed alpha cluster in a shell-model state of the target. But the reaction was assumed to have taken place by the pick-up of a preformed triton cluster (also bound in a shell-model state of the target core) by the incident proton for the pick-up mechanism. The Yukawa forms of potential were used for the proton-alpha (for the knock-on process) and proton-triton (for the pick-up process) interaction and several parameter sets for the proton and alpha-particle optical potentials. The calculated cross-sections for both mechanisms gave satisfactory fits to the experimental data. Furthermore, it has been shown that some combinations of the calculated distorted wave Born approximation cross-sections for the two reaction mechanisms in the FKK MSD theory are able to give better fits to the experimental data, especially in terms of range of agreement. In addition, the theory has been observed to be valid over a wider range of energy.