• Journal of the Optical Society of Korea
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• v.5 no.4
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• pp.123-130
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• 2001

In this paper, we report measurement of absorption coefficient for various InGaAs MQW QCSE device structures. The absorption spectra over a range of QCSE were obtained from measured photocurrent spectra. The refractive index changes with applied electric field were calculated from the absorption spectra.

• Bulletin of the Korean Chemical Society
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• v.14 no.1
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• pp.118-122
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• 1993

The 77 K luminescence and excitation spectra, room-temperature FT-infrared and visible absorption spectra of a newly prepared complex cis-[Cr(cyclam)(pn)]$(ClO_4)_3$, where cyclam and pn represent 1,4,8,11-tetraazacyclotetradecane and 1,2-propanediamine respectively, have been measured. Absorption maximum of the first spin-allowed transition in the electronic absorption spectra of cis-[Cr(cyclam)(pn)]$^{3+}$ and cis-[Cr(cyclam)(en)]$^{3+}$ appears at nearly the same position. The two spin-allowed and six spin-forbidden electronic transitions are assigned from the visible absorption and excitation spectra. It is also shown that the zero phonon line in the excitation spectrum splits into two components by 50 cm$^{-1}$.

• Bulletin of the Korean Chemical Society
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• v.31 no.7
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• pp.1875-1880
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• 2010

A dicycle pyrazoline derivative, 1-phenyl-5-(p-fluorophenyl)-3,4-($\alpha$-p-fluoro-tolylenecyclohexano) pyrazoline, was synthesized and characterized by elemental analysis, IR, UV-vis, fluorescence spectra and X-ray single crystal diffraction. Density function theory (DFT) calculations were performed by using B3LYP method with 6-$311G^{**}$ basis set. The optimized geometry can well simulate the molecular structure. Vibrational frequencies were predicted, assigned and compared with the experimental values, which suggest that B3LYP/6-$311G^{**}$ method can well predict the IR spectra. Both the experimental electronic absorption spectra and the predicted ones by B3LYP/6-$311G^{**}$ method reveal three electron-transition bands, with the theoretical ones having some red shifts compared with the experimental data. Natural bond orbital analyses indicate that the absorption bands are mainly derived from the contribution of n $\rightarrow\pi^*$ and $\pi\rightarrow\pi^*$ transitions. Fluorescence spectra determination shows that the title compound can emit blue-light at about 478 nm. On the basis of vibrational analysis, the thermodynamic properties of title compound at different temperature have been calculated, revealing the correlations between $C^0_{p,m}$, $S^0_m$, $H^0_m$ and temperature.

• Bulletin of the Korean Chemical Society
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• v.22 no.8
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• pp.837-841
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• 2001

The electronic absorption and Raman spectra of $\alpha\omega-diphenylpolyenyl$, anions Ph(CH)nPh- (DPn- , n = 3, 5, 7, 9, and 13), with odd number of carbons at the polyene part, have been studied in the tetrahydrofuran (THF) solutions and in their solid film states, respectively. In the case of Raman spectra for DPn- , the frequencies and relative intensities of some Raman peaks regularly change with the increase of polyene chain length. The spectral patterns of anions (DPn- ) are very similar with those of radical anion (DPn${\cdot}$- ). However, the C=C stretching peaks of DPn- anions are observed in the 25-35 cm-1 higher frequency region than those of DPn${\cdot}$- radical anions. In the case of long chain models such as DP9- and DP13- , the C=C stretching peaks are observed in even higher frequency region than those of the corresponding neutral polyenes such as DP8, DP10, and DP12. The Raman patterns of DPn- anions in the THF solutions are similar with those in their solid film states. On the other hand, their electronic absorption spectra show a considerable difference each other. The n- ${\pi}*$ electronic absorption bands of DPn- anions in the THF solutions have been observed in the 0.27-0.39 eV lower energy region than those in their solid film states due to the solvent effects on polyene anions.

• Electrical & Electronic Materials
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• v.8 no.4
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• pp.458-463
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• 1995

The optical and electrical properties of $C_{22}$-Quinolinium(TCNQ) Langmuir-Blodgett films have been studied depending on the annealing temperatures. The optimal properties were investigated using UV/visible(300-800[nm]) absorption spectra and FTIR(Fourier-transformed- infrared) absorption measurements. The electrical properties were investigated in a frequency range of 10[Hz]-13[MHz]. The UV/visible absorption spectra at room temperature show that there are four characteristic peaks at 320, 380, 494 and 678[nm]. These absorption peaks decrease very rapidly above the annealing temperature of 180[.deg. C], which is due to a structural change of TCNQ. The FTIR absorption measurements strongly support the result of the UV/visible absorption spectra, because the absorption peak of TCNQ- at 2181[$cm^{-1}$ /] also decreases above 140[.deg. C]. The frequency-dependent dielectric constant shows that there is a dielectric dispersion near 1[MHz] which is due to an orientational polarization of the molecules inside the film. The overall frequency-dependent dielectric constant is higher near 80[.deg. C]. It may be due to a softness of the alkyl chains.s.

• Bulletin of the Korean Chemical Society
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• v.32 no.7
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• pp.2358-2368
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• 2011

Density functional theory (DFT) and time-dependent density functional theory (TDDFT) calculations, employing the B3LYP method and the LANL2DZ, 6-31G$^*$(LANL2DZ for Tc), 6-31G$^*$(cc-pVDZ-pp for Tc) and DGDZVP basis sets, have been performed to investigate the electronic structures and absorption spectra of the technetium-99m-labeled methylenediphosphonate ($^{99m}Tc$-MDP) complex of the simplest diphosphonate ligand. The bonding situations and natural bond orbital compositions were studied by the Mulliken population analysis (MPA) and natural bond orbital (NBO) analysis. The results indicate that the ${\sigma}$ and ${\pi}$ contributions to the Tc-O bonds are strongly polarized towards the oxygen atoms and the ionic contribution to the Tc-O bonding is larger than the covalent contribution. The electronic transitions investigated by TDDFT calculations and molecular orbital analyses show that the origin of all absorption bands is ascribed to the ligand-to-metal charge transfer (LMCT) character. The solvent effect on the electronic structures and absorption spectra has also been studied by performing DFT and TDDFT calculations at the B3LYP/6-31G$^*$(cc-pVDZ-pp for Tc) level with the integral equation formalism polarized continuum model (IEFPCM) in different media. It is found that the absorption spectra display blue shift in different extents with the increase of solvent polarity.

• Proceedings of the Korean Institute of Electrical and Electronic Material Engineers Conference
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• 2000.11a
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• pp.53-56
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• 2000

Langmuir-Blodgett(LB) technique is the best candidate for the future molecular electronic devices. But, these molecular thin film devices require the bulk properties that are influenced by the molecular orientations. So, this is of current interest in molecular electronic device fabrications of new materials. In this study, quantitative evaluation of molecular orientation in LB films of PAAS was performed by comparing the absorption intensities of the FT-IR transmission and reflection-absorption spectra and the polarized UV/visible absorption spectra. It was found that the polar angle( $\theta$ ) of the dipole moment is about 68$^{\circ}$ and the tilting angle of the alkyl chain is about 11.5$^{\circ}$

• Bulletin of the Korean Chemical Society
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• v.28 no.9
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• pp.1539-1544
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• 2007

1-Phenyl-3-p-fluorophenyl-5-p-chlorophenyl-2-pyrazoline has been synthesized and characterized by elemental analysis, IR, UV-Vis and X-ray single crystal diffraction. Density functional calculations show that B3LYP/6-311G** method can reproduce the structural parameters. The electronic absorption spectra have been predicted based on the optimized structure by using 6-311G** and 6-311++G** basis sets and compared with the experimental values. The results indicate that TD-DFT method can only predict the electronic absorption spectra of the system studied here approximately. On the basis of vibrational analyses, the thermodynamic properties of the title compound at different temperatures have been calculated, revealing the correlations between ,C0p,m,S0m,H0m and temperature.

• Journal of the Korean Chemical Society
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• v.8 no.4
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• pp.158-163
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• 1964

Electronic spectra and quenching constants for ten N,N-dimethylanilines (DMA) have been determined. The $250m{\mu}$ absorption band (C band) of DMA was shown to be mainly responsible for the quenching. This band was confirmed as an $n{\to}{\pi}^{\ast}$ band through substituent and medium effects on the spectra shifts. The energy absorbed by this band then transfers to triplet and down to the lowest triplet state, $^{3}La$, where the energy is lost by non-radiative collisions.

• Bulletin of the Korean Chemical Society
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• v.32 no.3
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• pp.943-946
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• 2011

The electronic absorption and surface morphology evolution of two types of molecular double layer thin films, copper phthalocyanine (CuPc) layer deposited on chloro[subphthalocyaninato]boron(III) (SubPc) layer, denoted as SubPc/CuPc, and vice versa, with various thicknesses were investigated using ultraviolet (UV)-visible spectroscopy and atomic force microscopy (AFM). Both types of double layer structures showed similar broadened absorption patterns in the UV-visible region that were consistent with the fitted spectra following simple linear combination of the single layer absorption spectra of the two materials. In contrast, the surface morphology of double layer structures was dependent on the order of deposition. For the CuPc/SubPc structures, surface morphology was characterized by elongated grains, which are characteristic of SubPc thin films, indicating that the morphological influence of the underlying CuPc layer on the subsequent SubPc layer was not large. For the SubPc/CuPc structures, however, the underlying SubPc layer acted as a morphological template for the subsequently deposited CuPc layer. It was also observed that the grain size of the CuPc layer varied according to the thickness of the underlying SubPc layer.