A5100757437- X-ray Diffraction in Crystallography
- Crystallization and Solubility Studies
- Synthesis and Properties of Aromatic Compounds
- Porphyrin and Phthalocyanine Chemistry
- Nonlocal and gradient elasticity in micro/nano structures
- Composite Structure Analysis and Optimization
- Luminescence and Fluorescent Materials
- Fullerene Chemistry and Applications
- Numerical methods in engineering
- Semiconductor materials and devices
- Photochemistry and Electron Transfer Studies
- Photosynthetic Processes and Mechanisms
- Thermoelastic and Magnetoelastic Phenomena
- Covalent Organic Framework Applications
- Photochromic and Fluorescence Chemistry
- Organic Electronics and Photovoltaics
- Copper Interconnects and Reliability
- Supramolecular Chemistry and Complexes
- Metal-Organic Frameworks: Synthesis and Applications
- Metal-Catalyzed Oxygenation Mechanisms
- Crystallography and molecular interactions
- Membrane Separation and Gas Transport
- Surface Chemistry and Catalysis
- Fuel Cells and Related Materials
- Conducting polymers and applications
Western Michigan University
2018-2025
Seoul National University
2024-2025
Yonsei University
2017-2024
Korea Electric Power Corporation (South Korea)
2021
Seoul Institute
2017
Quality and Reliability (Greece)
2015-2017
Samsung (South Korea)
2015-2017
Texas A&M University
2016
Abstract Understanding of interactions among molecules is essential to elucidate the binding pharmaceuticals on receptors, mechanism protein folding and self-assembling organic molecules. While between two aromatic have been examined extensively, little known about antiaromatic Theoretical investigations predicted that should be stabilized when they stack with each other by attractive intermolecular interactions. Here, we report synthesis a cyclophane, in which porphyrin moieties adopt...
Here, we present the synthesis and characterization of a novel 2D crystalline framework, named C2O, which mainly consists carbon oxygen in 2:1 molar ratio features crown ether holes its skeletal structure. The covalent-frameworked can be synthesized on gram-scale exhibits fine chemical stability various environments, including acid, base, different organic solvents. C2O efficiently activates KI through strong coordination K+ with rigid enhances nucleophilicity I– significantly improves...
Static bending, free vibration and buckling of functionally graded porous micro-plates are investigated using a general third order plate theory. In addition, analytical solutions obtained the Navier method. The effect material length scale factor variation property through thickness direction plates considered as well porosity effects. Three different distributions effects variations examined in framework Numerical results show that each distribution is distinguished due to coupling between...
Excited-state aromatization dynamics in the photochemical ring opening of dihydroazulene (DHA) is investigated by nonadiabatic molecular simulations connection with mixed-reference spin-flip (MRSF)-TDDFT method. It found that, main reaction channel, occurs excited state a sequence steps increasing aromaticity. The first stage lasting ca. 200 fs produces an 8π semiaromatic S1 minimum (S1, min) through ultrafast damped bond length alternation (BLA) movement synchronized partial planarization...
We revealed a symmetry-breaking charge transfer (SBCT) process in the excited state of directly linked push–pull porphyrin dyad (AD) and triad (ADA) <italic>via</italic> both steady-state time-resolved spectroscopic measurements.
Expanded porphyrins have been attracting increasing attention owing to their unique optical and electrochemical properties as well switchable aromaticity. Toward material applications, regioselective functionalization of the expanded at periphery is indeed challenging due presence multiple reactive sites. Herein, a set halogenated isomers (L5-Br-A/B/C) neo-confused isosmaragdyrin (L5) are synthesized by combination halogenation reaction L5 sequential macrocycle-to-macrocycle transformation...
Stacked-ring aromaticity arising from the close stacking of antiaromatic π-systems has recently received considerable attention. Here, we realize stacked-ring via a rational supramolecular approach. A nanocapsule composed bent polyaromatic amphiphiles was employed to encapsulate several norcorrole Ni(II) complexes (NCs) in water. The resulting micellar capsules display high stability toward heating and concentration change. encapsulation resulted appearance broad absorption band...
A nonlinear finite element model for circular and annular micro-plates under thermal mechanical loading was developed using a third-order shear deformation theory. In the kinematic assumptions, change in plate thickness is allowed, no transverse strains are considered on top bottom surfaces. power-law distribution utilized to account variations two constituents through of plate. Three different types porosity distributions considered. The strain gradient effect micro-scale structures...
In the fabrication of proton exchange membranes (PEMs), incorporating nanomaterials into polymer matrix is a promising strategy for enhancing membrane stability. However, this approach often results in trade-off with conductivity. To address limitation and develop efficient additives, we synthesized novel covalent organic framework high density ether nitrile groups (COF-EN) via nucleophilic substitution as nanofiller. This nanofiller was specifically designed to enhance both conductivity...
A nanographene-fused expanded carbaporphyrin (5) and its BF2 complex (6) were synthesized. Single-crystal X-ray structures revealed that 5 6 are connected by two hexa-peri-hexabenzocoronene (HBC) units dipyrromethene or BODIPY units, respectively. As prepared, both show nonaromatic character with figure-of-eight carbaoctaphyrin (1.1.1.0.1.1.1.0) cores adopt tweezers-like conformations characterized a partially confined space between the constituent HBC units. The distance centers is >10 Å,...
We present the synthesis of donor–acceptor-type bis(triisopropylsilyl-ethynyl)-substituted boron-dipyrromethene (BODIPY) derivatives (2 and 5) with capability for concerted two-photon (TP) excitation-induced photoacoustic (PA) imaging by near-infrared-II (NIR-II) light irradiation. The absorption spectra these BODIPYs exhibited distinct intense peaks within NIR-I region. Along this feature, emission properties compounds 2 5 are notably weak due to their intramolecular charge transfer...
The corrole derivative meso-oxoisocorrole has been theoretically predicted to be antiaromatic, despite its formally cross conjugated electronic system. In this study, prediction experimentally proven by the facile preparation of via oxidation a meso free with MnO2 and comprehensive characterization using NMR, UV/vis absorption, FT-IR, transient-absorption spectroscopy, cyclic voltammetry, X-ray diffraction analysis. Furthermore, base was metalated treatment Ni(acac)2, PdCl2(PhCN)2, Zn(OAc)2...
Abstract s ‐Indacene is a classical non‐alternant hydrocarbon that contains 12 π‐electrons in cyclic π‐conjugation system. Herein, we report its nitrogen‐doped analogue, 1,5‐diaza‐ ‐indacene. 1,5‐Diaza‐ ‐indacenes were readily prepared from commercially available 2,5‐dichlorobenzene‐1,4‐diamine through two‐step transformation consisting of palladium‐catalyzed Larock cyclization with diaryl acetylenes followed by hydrogen abstraction. The thus obtained exhibited distinct antiaromaticity, as...
BIII subporphyrins are the legitimate ring-contracted porphyrins consisting of three pyrroles and meso-carbons their chemistry has been extensively developed since first synthesis in 2006. However, subporphyrin free bases have never synthesized, despite tremendous attempts to remove ion. Here we report that Suzuki-Miyaura coupling between α,α'-diborylated tripyrrane 1 tetrabromide 5 gave 6, 6 A, base dimer 7 %, 4 2 % yields as examples. Subporphyrin exhibit curved bowl-like structures...
5,20-Diheterohexaphyrins with variable aromatic characters have been synthesized for the first time.
Abstract The scientific significance of excited-state aromaticity concerns with the elucidation processes and properties in excited states. Here, we focus on TMTQ , an oligomer composed a central 1,6-methano[10]annulene 5-dicyanomethyl-thiophene peripheries (acceptor-donor-acceptor system), investigate two-electron transfer process dominantly stabilized by aromatization low-energy lying state. Our spectroscopic measurements quantitatively observe shift two π-electrons between donor...
5,10,23-Trimesityl-substituted [24]hexaphyrin(1.1.0.0.1.0) was synthesized as a stable antiaromatic molecule by base-catalyzed twofold SNAr reaction and reduced to the corresponding [26]hexaphyrin, which an unstable aromatic because it easily oxidized [24]hexaphyrin. The [24]hexaphyrin served ligand give bis-PdII complex tris-RhI with unique structures. former has two square-planar-coordinated PdII ions bridged acetate anion shows strong paratropic ring current, while latter three RhI...