• Journal of the Korean Vacuum Society
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• v.7 no.s1
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• pp.20-24
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• 1998

Photploymer films are widely used in printing and electronic industries, and their usage is expanding to encompass holography, data storage and data processing, optical waveguides and compact disks, etc. One of widely used photoplymerization initiator, 20chloro-hexaarylbiimidazole (o-Cl-HABI), is studied by laser flash photolysis in dichloromethane solution in the absence and presence of the visible light photosensitizing dye, 2, 5-bis[(2, 3, 6, 7 -tetrahydro- 1H, 5H -benzo [i, j,] quinolizin -1-yl) methylene]-cyclopenta-none, (JAW). In the presence of JAW, an increase in triarylimidazolyl radicals L.formation is observed in relative to the absence of JAW. The mechanism of this photosensitizing dissociation is concluded as the dissociation of the o-Cl-HABI radical anion formed by the electron transfer from excited singlet state of JAW to o-Cl-HABI. The observed formation of L.radicals exhibits a linear dependence on o-Cl-HABI concentration. The rate constant of electron transfer obtained from this dependence is equal to (1.0$\pm$0.2) x $10^9 M^{-1}s^{-1}$. No reaction between the excited triplet state of JAW and o-Cl-HABI is found.

• Bulletin of the Korean Chemical Society
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• v.20 no.12
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• pp.1493-1500
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• 1999

The electronic transitions from the ground state to low-lying excited states of CF₃OH have been investigated using high level ab initio quantum mechanical techniques. Also the possible photodissociation procedures of CF₃OH have been considered. The highest level employed in this study is TZP CCSD(T) level of theory. The possible four low-lying excited states can result by the excitation of the lone pair electron (n) in oxygen to σ$^*$ molecular orbital in C-O or O-H bond. The vertical transition (n → σ$^*$) energy is predicted to be 220.5 kcal/mol (130 nm) at TZ2P CISD level to theory. The bond dissociation energies of CF₃OH to CF₃O +H and CF₃+OH have been predicted to be 119.5 kcal/mol and 114.1 kcal/mol, respectively, at TZP CCSD level of theory. In addition, the transition state for the unimolecular decomposition of CF₃OH into CF₂O + HF has been examined. The activation energy and energy separation for this decomposition have been computed to be 43.6kcal/mol and 5.0 kcal/mol including zero-point vibrational energy corrections at TZP CCSD(T) level of theory.ed phenols were also estimated.

• Bulletin of the Korean Chemical Society
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• v.16 no.6
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• pp.547-552
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• 1995

As an extension to the Kramers' restricted Hartree-Fock (KRHF) method [J. Comp. Chem., 13, 595 (1992)], we have implemented the Kramers' restricted configuration interaction (KRCI) program in order to calculate excited states as well as the ground state of polyatomic molecules containing heavy atoms. This KRCI is based on determinants composed of the two-component molecular spinors which are generated from KRHF calculations. The Hamiltonian employed in the KRHF and KRCI methods contains most of all the important relativistic effects including spin-orbit terms through the use of relativistic effective core potentials (REP). The present program which is limited to a small configuration space has been tested for a few atoms and molecules. Excitation energies of the group 14 and 16 elements calculated using the present KRCI program are in good accordance with the spectroscopic data. Calculated excitation energies for many Rydberg states of K and Cs indicate that spin-orbit terms in the REP, which are derived for the ground state, are also reliable for the description of highly excited states. The electronic states of the polyatomic molecule CH3I are probed from the molecular region to the dissociation limit. Test calculations demonstrate that the present KRCI is a useful method for the description of potential energy surface of polyatomic molecules containing heavy atoms.

• Journal of Photoscience
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• v.2 no.2
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• pp.99-101
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• 1995

A semiempirical methods(PM3-CI-UHF, MM2) for the evaluation of ground and excited state electronic structures of electron-donating substituents are applied to 4, 5', 8-trimethylpsoralen(TMP) with TMP dimer. Three types of product have been proposed; (1) pyrone< >pyrone, (2) pyrone< >furan, (3) hetero dimer resulting from the C$_4$-cycloaddition between the furan end of one TMP moiety and the pyrone end of the other, with cis-syn configuration.

• Bulletin of the Korean Chemical Society
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• v.16 no.7
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• pp.574-577
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• 1995

Solvatochromic effect and hydrogen bonding interaction of NPNOH, NPNO- and NPNOR were investigated. Electronic transition energies of the dyes were plotted against empirical solvent polarity parameters, Taft's π* and Reichardt's ET(30). Good correlations were observed when the excitation energies were plotted against the energy calculated by multiple linear regression method which was developed by Taft. There is an intrinsic difference between betaine for ET(30) polarity scale and the azoderivative, which is derived from the specific hydrogen bond incurred with probe molecules and solvents. The hydrogen bonding plays a very important role for stabilization of an excited state molecule by solvents especially when a solute possesses a negative charge as with NPNO-.

• Bulletin of the Korean Chemical Society
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• v.32 no.8
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• pp.2751-2755
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• 2011

The visible vibronic emission spectrum was recorded from the corona discharge of precursor 1,2,3,4-tetramethylbenzene with a large amount of inert carrier gas helium using a pinhole-type glass nozzle coupled with corona excited supersonic expansion. The spectrum showed a series of vibronic bands in the $D_1{\rightarrow}D_0$ electronic transition of jet-cooled benzyl-type radicals formed from the precursor in a corona excitation. The analysis confirmed that two isomeric radicals, 2,3,4- and 2,3,6-trimethylbenzyl radicals, were produced as a result of removal of a hydrogen atom from the methyl group at different substitution positions. For each isomeric product, the electronic transition and a few vibrational mode frequencies were determined in the ground electronic state.

• Bulletin of the Korean Chemical Society
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• v.25 no.8
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• pp.1130-1132
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• 2004

Photodissociation dynamics of tert-butyl isocyanide at 193 nm has been investigated by measuring rotationally resolved laser induced fluorescence spectra of CN fragments that were exclusively produced in the ground electronic state. From the spectra, internal energies of CN and translational energy releases in the products were obtained. The dissociation takes place in the excited triplet states which are strongly repulsive along the dissociation coordinate via curve crossing from the initially prepared state.

• Bulletin of the Korean Chemical Society
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• v.30 no.7
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• pp.1452-1458
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• 2009

The change in the electronic absorption and emission energy of 7-aminocoumarin derivatives in binary solvent mixtures has been studied. The electronic transition energy along with the Stokes' shift is correlated with the orientation polarizability of the solvent as well as the empirical solvent polarity parameters $E_T$ (30). It is observed that the emission peak shift traces the change of $E_T$ (30) value very closely in binary solvent mixtures. The emission transition more strongly depends on the solvent polarity than the absorption, which indicates the dipole moment gets larger on excitation. From the dependence of the Stokes’ shift of 7-aminocoumarins with the solvent polarity parameters and the ground state dipole moment obtained by the semi-empirical calculations, the excited state dipole moment was estimated. The fluorescence lifetime change of 7-aminocoumarins in binary solvent mixtures was measured and the results are explained in terms of molecular conformation and solvent polarity. The study indicates the empirical solvent polarity $E_T$ (30) is a good measure of microscopic solvent polarity and it probes in general the non-specific solvent interactions.

• Proceedings of the Korean Institute of Electrical and Electronic Material Engineers Conference
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• 2003.07b
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• pp.968-971
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• 2003

Due to a low efficiency of phosphor with large Stoke shift in Vacuum Ultra Violet (VUV) excitation environment, new PDP phosphors which can be excited in UV excitation environment need to be developed. In this study, $Zn_2SiO_4:Tb$ phosphor was synthesized by solid-state reaction method at $1300^{\circ}C$ with varying Tb concentration, and its cross relaxation effect was observed by Photoluminescence (PL) measurement. In order to decrease $^5D_3{\to}7F_j$ transition with blue emission in $Zn_2SiO_4:Tb$ phosphor, Dy, co-activator element, was added to $Zn_2SiO_4:Tb$ phosphor. In 254nm excitation environment, broad-emission peak was observed around 524nm, green emission.

• Proceedings of the KIEE Conference
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• 2002.07b
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• pp.882-884
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• 2002

The transient voltage characteristics of capacitor self-exited induction generator are analyzed by the state equation which is obtained from the d-q axis equivalent circuit of stationary reference frame and torque equation. The d-q equivalent circuit is composed using the condition of stationary reference frame. The mutual inductance is only considered as a function of magnetizing current in the equivalent circuit. The characteristics are analyzed and discussed by the backward Euler method for various load conditions under specified initial conditions and input.