• Journal of the Korean Chemical Society
• /
• v.20 no.5
• /
• pp.380-390
• /
• 1976

The trends of forming a charge transfer complex have been studied for electron donors such as anisole, 4-chloroanisole, 2,4-dichloroanisole, 2-fluoro-4-chloroanisole, 2-bromo-4-chloroanisole, 2-iodo-4-chloroanisole, 2-fluoro-4,6-dichloroanisole, 2,4,6-trichloroanisole, 2-bromo-4,6-dichloroanisole, 2-iodo-4,6-dichloroanisole, and 2-iodo-4,5,6-trichloroanisole, and electron acceptors such as iodine and iodine monochloride in the carbon tetrachloride or the hexane solvent system. It was found that the formation of a charge transfer complex was influenced by the Van der Waals Radii of the 2-halogen atoms on the benzene ring and further the overall steric moiety of the molecule of the electron donor. These trends were also experienced in a system of chloroform and one of the prementioned electron donor by means of a nuclear magnetic resonance spectrometry. The spectrophotometrical data on the formation of the charge transfer complex were presented and the results were discussed with views of the steric structure of the 2-halogen atom on the benzene ring.

• Transactions of the Korean hydrogen and new energy society
• /
• v.22 no.5
• /
• pp.656-662
• /
• 2011

The purpose of this study was to correlate between photoelectrochemcial hydrogen production rate and electron transfer with various types of metal doped $TiO_2$ nanotubes as photoanodes. In order to fabricate light sensitized photoanode, CdS, $WO_3$, and Pt were doped by electrodeposition method. As the results of experiments, the electron transfer was favorable from higher position to lower position of conduction band (CB). In consequence, the higher hydrogen production rate was as follows, CdS/$TiO_2$ (100 $umol/hr-cm^2$) > $WO_3/TiO_2$ (20 $umol/hr-cm^2$) > Pt/$TiO_2$ (10 $umol/hr-cm^2$). The surface characterizations exhibited that crystal structure, morphological and electrical properties of various metal depoed $TiO_2$ nanotubes by the results of SEM, TEM, XPS, and photocurrent measurements.

• Bulletin of the Korean Chemical Society
• /
• v.28 no.8
• /
• pp.1389-1395
• /
• 2007

Two series of new organic fluorophores such as asymmetrical 3-(benzimidazol-2-yl)-10-hexylphenothiazine derivatives 1 and symmetrical 3,7-bis(benzimidazol-2-yl)-10-hexylphenothiazine derivatives 2 have been synthesized. Electronic absorption, fluorescence, and electrochemistry measurements reveal that the electron withdrawing benzimidazole subunit directly connected to the phenothiazine core facilitates the charge transfer characters which were also verified by the theoretical calculations. Various substituents on the benzimidazole moieties can allow a fine-tuning of the LUMO energy levels of the molecules without significantly affecting the HOMO energy levels. The method provides a new route for designing ambipolar molecules whose energy levels are well-matched with the Fermi levels of the electrodes to facilitate the electron or hole injection/transfer in OLED devices.

• Bulletin of the Korean Chemical Society
• /
• v.19 no.10
• /
• pp.1063-1068
• /
• 1998

The nature of F electronic excitation energy transfer to OH- vibrational levels in KCl crystals is the exchange interaction, although the transfer process exhibits three temporally distinguishable components depending on the distance between excited F center and OH-. The critical distance as well as rate of the major energy transfer process in randomly distributed samples increases rapidly as OH- librational motions become active with temperature rise. The excited state character introduced into the OH- ground electronic state by perturbation is essential for the exchange interaction. The perturbation is brought about by the expanded electron cloud of excited F center for OH- associated to F center, whereas by librations and lattice vibrations perpendicular to the bond axis for isolated OH- . F excitation quenching efficiency by OH- is dependent on the variation of the critical distance rather than the rate as the rate is much faster than the normal F bleach recovery rate.

• Bulletin of the Korean Chemical Society
• /
• v.28 no.12
• /
• pp.2343-2353
• /
• 2007

We report the application of time-dependent density functional theory (TDDFT) to the calculation of potential energy profile relevant to the excited state intramolecular proton transfer (ESIPT) processes in title molecules. The TDDFT single point energy calculations along the reaction path have been performed using the CIS optimized structure in the excited state. In addition to the Stokes shifts, the transition energies including absorption, fluorescence, and 0-0 transition are estimated from the TDDFT potential energy profiles along the proton transfer coordinate. The excited state TDDFT potential energy profile of SA and 3ASA resulted in very flat function of the OH distance in the range ROH = 1.0-1.6 A, in contrast to the relatively deep single minimum function in the ground state. Furthermore, we obtained very shallow double minima in the excited state potential energy profile of SA and 3ASA in contrast to the single minimum observed in the previous work. The change of potential energy profile along the reaction path induced by the substitution of electron donating groups (-NH2 and -OCH3) at different sites has been investigated. Substitution at para position with respect to the phenolic OH group showed strong suppression of excited state proton dislocation compared with unsubstitued SA, while substitution at ortho position hardly affected the shape of the ESIPT curve. The TDDFT results are discussed in comparison with those of CASPT2 method.

• The Transactions of the Korean Institute of Electrical Engineers P
• /
• v.56 no.1
• /
• pp.1-5
• /
• 2007

Study on the electron transport coefficient in mixtures of CF4 and Ar, have been analyzed over a range of the reduced electric field strength between 0.1 and 350[Td] by the two-term approximation of the Boltzmann equation (BEq.) method and the Monte Carlo simulation (MCS). The calculations of electron swarm parameters require the knowledge of several collision cross-sections of electron beam. Thus, published momentum transfer, ionization, vibration, attachment, electronic excitation, and dissociation cross-sections of electrons for $CF_4$ and Ar, were used. The differences of the transport coefficients of electrons in $CF_4$ mixtures of Ar, have been explained by the deduced energy distribution functions for electrons and the complete collision cross-sections for electrons. The results of the Boltzmann equation and the Monte Carlo simulation have been compared with the data presented by several workers. The deduced transport coefficients for electrons agree reasonably well with the experimental and simulation data obtained by Nakamura and Hayashi. The energy distribution function of electrons in $CF_4-Ar$ mixtures shows the Maxwellian distribution for energy. That is, $f({\varepsilon})$ has the symmetrical shape whose axis of symmetry is a most probably energy. The proposed theoretical simulation techniques in this work will be useful to predict the fundamental process of charged particles and the breakdown properties of gas mixtures. A two-term approximation of the Boltzmann equation analysis and Monte Carlo simulation have been used to study electron transport coefficients.

• Journal of the Korean Chemical Society
• /
• v.28 no.4
• /
• pp.251-258
• /
• 1984

The mechanism of photosensitization and the affect of binder on dye-sensitized ZnO have been studied by surface photovoltage spectroscopy. It has been found that the value of energy trapping level $E_{t1}$ on ZnO is 1.12eV (${\lambda$ = 1,100nm) and that of energy trapping level $E_{t2}$ on dye-sensitized ZnO is 0.99eV (${\lambda$ = 1,250nm) which is shifted towards a longer wavelength. The effect of binder on ZnO has been increased the efficiency of surface photovoltage, but it does not effect the values of energy trapping level. The acid-type dyes agree well with the prediction based on an electron transfer mechanism. The desensitization of the Na salt-type dyes for the intrinsic photoresponse of zinc oxide can be explained by energy transfer mechanism. It has been obtained that the dye-sensitized ZnO indicates the possibility of electrophotographic photosensitizer for the infrared range of light.

• Rapid Communication in Photoscience
• /
• v.3 no.3
• /
• pp.42-47
• /
• 2014

Development of molecular and supramolecular systems showing efficient photoinduced energy or electron transfer are of current research interest due to their applications in various chemical and biological processes. Various polypyridine metal complexes including Ru(II), Ru(III), Os(II), Pt(II), Fe(II), Re(I), Ir(III) and so on as a metal center introduce for expanding some more understanding of molecular-scale photoelectronics. Their complexes are concisely classified by the types of relay ligands as follows; (a) metal-direct ligand-metal system; dinuclear or trinuclear systems, (b) metal-nonconjugated ligand-metal system and metal-nonconjugated ligand system having flexible/rigid ligand, (c) metal-conjugated ligand-metal system, and (d) conjugated ligand-metal-conjugated ligand system and metal-self assembly ligand-metal system. It is pointed out that the role played by the relay ligands is important in constructing the metal complexes.

• Rapid Communication in Photoscience
• /
• v.4 no.2
• /
• pp.41-44
• /
• 2015

Biomolecular photo-damaging activity of a water-soluble cationic porphyrin was examined using human serum albumin (HSA), a water-soluble protein as a target biomolecule model by a fluorometry. Dichlorophosphorus(V) tetraphenylporphyrin ($Cl_2P(V)TPP$), was synthesized and used as a photosensitizer. This porphyrin could bind to HSA and cause the photosensitized oxidation of HSA through the singlet oxygen generation and the oxidative photo-induced electron transfer (ET). Near infrared emission spectroscopy demonstrated the photosensitized singlet oxygen generation by this porphyrin. Decrement of the fluorescence lifetime of $Cl_2P(V)TPP$ by HSA supported the ET mechanism. Furthermore, the estimated Gibb's energy indicated that the ET mechanism is possible in the terms of energy. Because oxygen concentration in cancer cell is relatively low, ET mechanism is considered to be advantageous for photosensitizer of photodynamic therapy.

• Korean Journal of Materials Research
• /
• v.33 no.4
• /
• pp.159-163
• /
• 2023

Zinc-ion Batteries (ZIBs) are currently considered to be effective energy storage devices for wearable electronics because of their low cost and high safety. Indeed, ZIBs show high power density and safety compared with conventional lithium ion batteries (LIBs) and exhibit high energy density in comparison with supercapacitors (SCs). However, in spite of their advantages, further current collector development is needed to enhance the electrochemical performance of ZIBs. To design the optimized current collector for high performance ZIBs, a high quality graphene film is suggested here, with improved electrical conductivity by controlling the defects in the graphene film. The graphene film showed improved electrical conductivity and good electron transfer between the current collector and active material, which led to a high specific capacity of 346.3 mAh g^-1 at a current density of 100 mA g^-1, a high-rate performance with 116.3 mAh g^-1 at a current density of 2,000 mA g^-1, and good cycling stability (68.0 % after 100 cycles at a current density of 1,000 mA g^-1). The improved electrochemical performance is firmly because of the defects-controlled graphene film, leading to improved electrical conductivity and thus more efficient electron transfer between the current collector and active material.