• Title/Summary/Keyword: Electronic spectra

검색결과 775건 처리시간 0.03초

Electronic Spectroscopy and Ligand Field Analysis of mer-Chloro(1,2-ethanediamine)(1,5,9-triazanonane)chromium(III) Tetrachlorzincate(II)

  • Park, Jong-Ha;Park, Yu-Chul;Kim, Hag-Sung
    • Journal of Photoscience
    • /
    • 제7권3호
    • /
    • pp.97-101
    • /
    • 2000
  • The 77 K emission and excitation spectra, and 298 K infrared and absorption spectra of mer-[CrCl(en)(dpt)]ZnCl$_4$(en=1,2-diaminoethane; dpt=1,5,9-triazanonane) have been measured. Ligand field electronic transitions due to spin-allowed and spin-forbidden are assigned. The zero-phonon line in the excitation spectrum splits into two components by 151$cm^{-1}$ /, and large$^2$E$^{g}$ splitting can be reproduced by the modern ligand field theory. It is confirmed that nitrogen atoms of the en and dpt ligands have a strong $\delta$-donor character, but chloride ligand has weak $\delta$-and $\pi$-donor properties toward chromium(III) ion.

  • PDF

Isomeric Trimethylbenzyl Radicals Produced by Corona Discharge of 1,2,3,5-Tetramethylbenzene

  • Lee, Gi-Woo;Yoon, Young-Wook;Lee, Sang-Kuk
    • Bulletin of the Korean Chemical Society
    • /
    • 제32권9호
    • /
    • pp.3389-3394
    • /
    • 2011
  • Isomeric trimethylbenzyl radicals were generated and vibronically excited from precursor 1,2,3,5-tetramethylbenzene, isodurene, with a large amount inert carrier gas helium in a corona excited supersonic expansion (CESE) using a pinhole-type glass nozzle. A long-path monochromator was used to record the visible vibronic emission spectra of the jet-cooled benzyl-type radicals in the $D_1{\rightarrow}D_0$ electronic transition. From the analysis of the spectra, we identified the evidence of the presence of three isomeric trimethylbenzyl radicals in the corona discharge, and obtained the electronic energy and a few vibrational mode frequencies in the ground electronic state for each isomer.

Theoretical Studies on Electronic Structure and Absorption Spectrum of Prototypical Technetium-Diphosphonate Complex 99mTc-MDP

  • Qiu, Ling;Lin, Jian-Guo;Gong, Xue-Dong;Ju, Xue-Hai;Luo, Shi-Neng
    • Bulletin of the Korean Chemical Society
    • /
    • 제32권7호
    • /
    • pp.2358-2368
    • /
    • 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.

Ambient dose equivalent measurement with a CsI(Tl) based electronic personal dosimeter

  • Park, Kyeongjin;Kim, Jinhwan;Lim, Kyung Taek;Kim, Junhyeok;Chang, Hojong;Kim, Hyunduk;Sharma, Manish;Cho, Gyuseong
    • Nuclear Engineering and Technology
    • /
    • 제51권8호
    • /
    • pp.1991-1997
    • /
    • 2019
  • In this manuscript, we present a method for the direct calculation of an ambient dose equivalent (H* (10)) for the external gamma-ray exposure with an energy range of 40 keV to 2 MeV in an electronic personal dosimeter (EPD). The designed EPD consists of a 3 × 3 ㎟ PIN diode coupled to a 3 × 3 × 3 ㎣ CsI (Tl) scintillator block. The spectrum-to-dose conversion function (G(E)) for estimating H* (10) was calculated by applying the gradient-descent method based on the Monte-Carlo simulation. The optimal parameters for the G(E) were found and this conversion of the H* (10) from the gamma spectra was verified by using 241Am, 137Cs, 22Na, 54Mn, and 60Co radioisotopes. Furthermore, gamma spectra and H* (10) were obtained for an arbitrarily mixed multiple isotope case through Monte-Carlo simulation in order to expand the verification to more general cases. The H* (10) based on the G(E) function for the gamma spectra was then compared with H* (10) calculated by simulation. The relative difference of H* (10) from various single-source spectra was in the range of ±2.89%, and the relative difference of H* (10) for a multiple isotope case was in the range of ±5.56%.

절연물의 열화에 의한 AE신호와 변압기 외함의 AE노이즈 분포 (Distribution Characteristics of AE Signals in Insulation Deterioration and AE Noise in Cast Resin transformer)

  • 이상우;김인식;김이국;박원주;이광식
    • 대한전기학회:학술대회논문집
    • /
    • 대한전기학회 2002년도 하계학술대회 논문집 C
    • /
    • pp.1865-1867
    • /
    • 2002
  • In this paper, frequency spectra of AE signals detected from respective the insulation deterioration were analysed to under ac high-voltage application using epoxy resin sample and insulation oil. Also, frequency spectra of AE signals generated from the load currents in the actual operating transformer of 500[kVA] under distribution system of 22.9[kVJ] were also analysed to distinguish the AE signals due to void discharges from the magnetic circuit noises in transformer. As the experimental results, we could distinguish the AE signals whether those signals were caused due to the void discharges or due to the magnetic circuit noises by analyzing the frequency spectrum of AE signals.

  • PDF

B 이온을 주입시킨 GaAs의 Photoreflectance에 관한 연구 (A study on the photoreflectance of B ion implanted GaAs)

  • 최현태;배인호
    • E2M - 전기 전자와 첨단 소재
    • /
    • 제9권4호
    • /
    • pp.372-378
    • /
    • 1996
  • The phtoreflectance(PR) spectra of B ion implanted semi-insulating(SI) GaAs were studied. Ion implantation was performed by 150keV implantation energy and 1*10/aup 12/-10$^{15}$ ions/c $m^{2}$ doses. Electronic band structure was damaged by ion implantation with above 1*10$^{13}$ ions/c $m^{2}$ dose. When samples were annealed, " peak was observed at 30-40meV below band gap( $E_{g}$). It should be noted that this energy is close to the ionization energies of S $i_{As}$ , and GeAs in G $a_{As}$ which are also found as impurities in LEC GaAs, it is therefore possible that this feature is related to S $i_{As}$ , or G $e_{As}$ and B ions by implanted defect associated with them. From PR spectra of etched samples which is as-implanted by 1*10$^{14}$ and 1*10$^{15}$ ions/c $m^{2}$ dose, the depth of destroyed electronic band structure was from surface to 0.2.mu.m below surface.nic band structure was from surface to 0.2.mu.m below surface.

  • PDF

Realization and Analysis of p-Type ZnO:Al Thin Film by RF Magnetron Sputtering

  • Jin, Hu-Jie;Jeong, Yun-Hwan;Park, Choon-Bae
    • Transactions on Electrical and Electronic Materials
    • /
    • 제9권2호
    • /
    • pp.67-72
    • /
    • 2008
  • Al-doped p-type ZnO thin films were fabricated by RF magnetron sputtering on n-Si (100) and homo-buffer layers in pure oxygen ambient. ZnO ceramic mixed with 2 wt% $Al_2O_3$ was selected as a sputtering target. XRD spectra show that the Al-doped ZnO thin films have ZnO crystal structure. Hall Effect experiments with Van der Pauw configuration show that p-type carrier concentrations are arranged from $1.66{\times}10^{16}$ to $4.04{\times}10^{18}\;cm^{-2}$, mobilities from 0.194 to $198\;cm^2V{-1}s^{-1}$ and resistivities from 0.0963 to $18.4\;{\Omega}cm$. FESEM cross section images of different parts of a p-type ZnO:Al thin film annealed at $800^{\circ}C$ show a compact structure. Measurement for same sample shows that density is $5.40\;cm^{-3}$ which is smaller than theoretically calculated value of $5.67\;cm^{-3}$. Photoluminescence (PL) spectra at 10 K show a shoulder peak of p-type ZnO film at about 3.117 eV which is ascribed to electron transition from donor level to acceptor level (DAP).

(Zr$_{0.8}$Sn$_{0.2}$)TiO$_4$ 세라믹스의 마이크로파 유전특성 및 Infrared Reflectivity Spectra of (Zr0.8Sn0.2)TiO4 (Microwave Dielectric Properties and Infrared ReflectivitySpectra of (Zr$_{0.8}$Sn$_{0.2}$)TiO$_4$ Ceramics)

  • 윤기현;안일석;김우섭;김응수
    • 한국세라믹학회지
    • /
    • 제36권9호
    • /
    • pp.915-922
    • /
    • 1999
  • Microwave dielectric properties and far infrared reflectivity spectra of the (Zr0.8Sn0.2)TiO4 ceramics were inves-tigated with the various cooling rate. Dielectric constant was nearly same value while the unloaded Q value was largely affected by cooling rate. The Q.f of 42,140 at 7 GHz was obtained for the specimens with cooling rate of 1$^{\circ}C$/min. The effect of the cooling rate on the change of the ionic the electronic polarization and the intrinsic microwave loss of the specimens were investigated by the infrared reflectivity spectra from 50 to 4000cm-1 which were calculated by Kramers-Kroning analysis and the classical oscillator model. The relative tendency of microwave dielectric properties of the specimens calculated from the relfectivity data were in good agreement with the results by the post resonant method.

  • PDF

Stabilizing Linear Prediction for Discrete Harmonic Spectra of Audio Signals

  • Nam, Seung-Hyon;Kyeongok Kang;Hong, Jin-Woo
    • The Journal of the Acoustical Society of Korea
    • /
    • 제20권4E호
    • /
    • pp.39-44
    • /
    • 2001
  • We investigate the numerical instability of linear prediction for discrete harmonic spectra of audio signals. It is identified that the eigenvalue spread is very large when discrete harmonic spectra are confined only in a lower part of the entire signal bandwidth. A simple method that redefines the sampling frequency and associate harmonic frequencies is proposed to improve the numerical stability. Simulation results using real audio signals indicate its superior stabilizing ability and improved accuracy in the discrete spectral estimation for both LP and DAP.

  • PDF