고려대학교 · Engineering
서강대학교 Sungnam Park 교수 연구실은 초고속 분광법과 분자 동역학 시뮬레이션을 융합하여 수용액 내 수소결합 네트워크의 동적 거동을 연구합니다. 특히 고농도 염 용액과 나노구조계에서의 수분 및 이온의 상호작용 메커니즘을 원자적 스케일에서 규명하며, 물의 수소결합 구조와 동역학의 빠른 변화 과정을 2D IR 분광법으로 정량적으로 분석합니다. 또한 유기 화합물의 광학적 성질 예측을 위한 딥러닝 기반 모델 개발을 통해 실험과 이론의 융합 연구를 선도하고 있습니다.
표시된 성과는 수집된 데이터 기준으로 산출되며, 일부 차이가 있을 수 있습니다.
Hydrogen bond dynamics of water in NaBr solutions are studied by using ultrafast 2D IR vibrational echo spectroscopy and polarization-selective IR pump-probe experiments. The hydrogen bond structural dynamics are observed by measuring spectral diffusion of the OD stretching mode of dilute HOD in H(2)O in a series of high concentration aqueous NaBr solutions with 2D IR vibrational echo spectroscopy. The time evolution of the 2D IR spectra yields frequency-frequency correlation functions, which pe
Hydrogen bond dynamics of water in highly concentrated NaBr salt solutions and reverse micelles are studied using ultrafast 2D-IR vibrational echo spectroscopy and polarization-selective IR pump-probe experiments performed on the OD hydroxyl stretch of dilute HOD in H(2)O. The vibrational echo experiments measure spectral diffusion, and the pump-probe experiments measure orientational relaxation. Both experimental observables are directly related to the structural dynamics of water's hydrogen bo
Accurate and reliable prediction of the optical and photophysical properties of organic compounds is important in various research fields. Here, we developed deep learning (DL) optical spectroscopy using a DL model and experimental database to predict seven optical and photophysical properties of organic compounds, namely, the absorption peak position and bandwidth, extinction coefficient, emission peak position and bandwidth, photoluminescence quantum yield (PLQY), and emission lifetime. Our DL
The structural and dynamical properties of aqueous ionic solutions influence a wide range of natural and biological processes. In these solutions, water has the opportunity to form hydrogen bonds with other water molecules and anions. Knowing the time scale with which these configurations interconvert represents a key factor to understanding the influence of molecular scale heterogeneity on chemical events in aqueous ionic solutions. We have used ultrafast IR spectroscopy and Car-Parrinello mole
Electron dynamics in Au nanorods are studied with femtosecond nonlinear spectroscopic techniques, by directly exciting and probing the longitudinal surface plasmon resonance. The dispersive and absorptive parts of the third-order signal are measured using optical heterodyne detected four-wave-mixing spectroscopy. These signals are used to describe dynamics in Au nanorods in terms of frequency shift and broadening of the plasmon resonance. Pump−probe experiments are performed with a series of pum
We have used time-resolved multidimensional vibrational spectroscopy, generally termed 2DIR spectroscopy, to study the equilibrium dynamics of ligand exchange in an aqueous solution containing 3.4 M Mg(ClO(4))(2) and 1.2 M NaSCN. The sensitivity of the CN stretching frequency of thiocyanate (SCN(-)) to contact ion pair formation with Mg(2+) ions generates distinct spectroscopic signatures for the MgNCS(+) contact ion pair and the free SCN(-). We have utilized 2DIR spectroscopy to successfully re
Because of their unique structural and optical properties, 1D perylene diimide (PDI) derivatives have gained attention for use in optoelectronic devices. However, PDI-containing self-assembled supramolecular systems often are of limited use because they have supramolecular architectures that are held together by weak noncovalent π-π stacking, hydrogen bonding, and hydrophobic interactions. As a result, they are intrinsically unstable under solution-processing conditions. To overcome this limitat
Chemical exchange two-dimensional infrared (2DIR) spectroscopy is applied to investigate ion pairing dynamics occurring on picosecond timescales. SeCN(-) ion is used as a vibrational probe. The SeCN(-) ion dissolved in N,N-dimethyl formamide (DMF) has a sufficiently long vibrational lifetime and can form a contact ion pair with Li(+) ion in DMF. The CN stretch frequency of the contact ion pair is significantly blue-shifted from that of free SeCN(-) so the free SeCN(-) ion can be spectrally disti
Biocompatible aggregation-induced emission (AIE) materials from natural resources are of great interest for a variety of potential applications. Here, we report the unconventional AIE nature of the green tea polyphenol epigallocatechin gallate (EGCG), which is investigated by observing the disappearance and reoccurrence of fluorescence when EGCG is dissolved and recrystallized in aqueous solutions. The intermolecular through-space conjugation and structural rigidification induced by multiple int
A series of green-emitting fluorophores based on a tetra-azaacene core is synthesized by introducing nitrile substituents at different positions. Their molecular structure-optical property relationship [i.e., vibronic transitions in photoluminescence (PL) and electroluminescence (EL) spectra] is investigated to obtain a sharp emission where the vibronic peak ν<sub>0-0</sub> should be intensified by suppressing ν<sub>0-<i>n</i></sub> (<i>n</i> = 1, 2, 3...) transitions. The intensity ratios (<i>I
Polarizability response spectroscopy, a two-color optical Kerr effect method, has been developed and employed to study solvent intermolecular polarizability responses to photoexcited solutes. Here, we report solvent intermolecular polarizability responses in (dipolar) solvation. The time-resolved nonresonant polarizability signals are analyzed in the frequency domain where they are fit to a functional form representing diffusive reorientational, interaction-induced, and librational motions. Diff