• 제목/요약/키워드: Excited state

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Molecular Structure and Vibrational Spectra of Biphenyl in the Ground and the Lowest Triplet States. Density Functional Theory Study

  • 이상연
    • Bulletin of the Korean Chemical Society
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    • 제19권1호
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    • pp.93-98
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    • 1998
  • The molecular geometries and harmonic vibrational frequencies of biphenyl in the ground and the first excited triplet states have been calculated using the Hartree-Fock and Becke-3-Lee-Yang-Parr (B3LYP) density functional methods with 6-31G* basis set. Structural change occurs from a twisted benzene-like to a planar quinone-like form upon the excitation to the first excited state. Scaled harmonic vibrational frequencies for the ground state obtained from the B3LYP calculation show good agreement with the available experimental data. A few vibrational fundamentals for both states are newly assigned based on the B3LYP results.

From the Absorption Profile to the Potential by a Time-dependent Inversion Method

  • 김화중;김영식
    • Bulletin of the Korean Chemical Society
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    • 제18권12호
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    • pp.1281-1285
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    • 1997
  • The time-dependent tracking inversion method is developed to extract the potential of the excited state from frequency-domain measurements, such as the absorption profile. Based on the relay of the regularized inversion procedure and time-dependent wave-packet propagation, the algorithm extract the underlying potential piece by piece by tracking the time-dependent data which can be synthesized from frequency-domain measurements. We have demonstrated the algorithm to extract the potential of excited state for a model diatomic molecule. Finally, we describe the merits of the time-dependent tracking inversion method compared to the time-dependent inversion and discuss several extensions of the algorithm.

The C$_4$ Photocycloadduct Formation of Khellin with Some Olefins

  • Ho Kwon Kang;Sang Chul Shim
    • Bulletin of the Korean Chemical Society
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    • 제10권6호
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    • pp.543-546
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    • 1989
  • The photocycloaddition reaction of khellin with several olefins has been investigated. The photocycloadducts are formed regioselectively on furanyl 4',5'-double bond of khellin probably due to the localization of excitation energy on the furanyl 4',5'-double bond in the reactive excited state. The photocycloaddition reaction proceeds through the excited triplet state and the same product was formed when khellin is irradiated with dimethylfumarate or dimethylmaleate indicating the formation of common intermediate. The quantum yields of photocycloadduct formation, fluorescence, and intersystem crossing are very sensitive to proton-donating ability of solvents.

Intramolecular Hydrogen Bonding Effect on the Excited-State Intramolecular Charge Transfer of p-Aminosalicylic Acid

  • 김양희;윤민중
    • Bulletin of the Korean Chemical Society
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    • 제19권9호
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    • pp.980-985
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    • 1998
  • The excited-state intramolecular proton transfer (ESIPT) emission has been observed for 0.01 mM p-aminosalicylic acid (AS) in nonpolar aprotic solvents as demonstrated by the large Stokes' shifted fluorescence emission around 440 nm in addition to the normal emission at 330 nm. However in aprotic polar solvent such as acetonitrile, the large Stokes' shifted emission band becomes broadened, indicating existence of another emission band originated from intramolecular charge transfer (ICT). It is noteworthy that in protic solvents such as methanol and ethanol the normal and ICT emissions are quenched as the AS concentration decreases, followed by the appearance of new emission at 380 nm. These results are interpreted in terms of ESIPT coupled charge transfer in AS. Being consistent with these steady-state spectroscopic results, the picosecond time-resolved fluorescence study unravelled the decay dynamics of the ESIPT and ICT state ca. 300 ps and ca. 150 ps, respectively with ca. 40 ps for the relaxation time to form the ICT state.

Generalized State-Space Modeling of Three Phase Self-Excited Induction Generator For Dynamic Characteristics and Analysis

  • Kumar Garlapati Satish;Kishore Avinash
    • Journal of Electrical Engineering and Technology
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    • 제1권4호
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    • pp.482-489
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    • 2006
  • This paper presents the generalized dynamic modeling of self-excited induction generator (SEIG) using state-space approach. The proposed dynamic model consists of induction generator; self-excitation capacitance and load model are expressed in stationary d-q reference frame with the actual saturation curve of the machine. An artificial neural network model is implemented to estimate the machine magnetizing inductance based on the knowledge of magnetizing current. The dynamic performance of SEIG is investigated under no load, with the load, perturbation of load, short circuit at stator terminals, and variation of prime mover speed, variation of capacitance value by considering the effect of main and cross-flux saturation. During voltage buildup the variation in magnetizing inductance is taken into consideration. The performance of SEIG system under various conditions as mentioned above is simulated using MATLAB/SIMULINK and the simulation results demonstrates the feasibility of the proposed system.

Static VAR Compensator-based Feedback Control Implementation for Self-Excited Induction Generator Terminal Voltage Regulation Driven by Variable-Speed Prime Mover

  • Ahmed, Tarek;Nishida, Katsumi;Nakaoka, Mutsuo
    • Journal of Power Electronics
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    • 제4권2호
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    • pp.65-76
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    • 2004
  • In this paper, the steady-state analysis of the three-phase self-excited induction generator (SEIG) driven by a variable-speed prime mover (VSPM) such as a wind turbine is presented. The steady-state torque-speed characteristics of the VSPM are considered with the three-phase SEIG equivalent circuit for evaluating the operating performances due to the inductive load variations. Furthermore, a PI closed-loop feedback voltage regulation scheme based on the static VAR compensator (SVC) for the three-phase SEIG driven by the VSPM is designed and considered for the wind power generation conditioner. The simulation and experimental results prove the practical effectiveness of the additional SVC with the PI controller-based feedback loop in terms of fast response and high performances.

Effective Algorithm in Steady-State Analysis for Variable-Speed and Constant-Speed Wind Turbine Coupled Three-Phase Self-Excited Induction Generator

  • Ahmed, Tarek;Nishida, Katsumi;Nakaoka, Mutsuo
    • KIEE International Transaction on Electrical Machinery and Energy Conversion Systems
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    • 제3B권3호
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    • pp.139-146
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    • 2003
  • In this paper, the steady-state operating performance analysis for the three-phase squirrel cage rotor self-excited induction generator (SEIG) driven by a variable-speed prime mover (VSPM) in addition to a constant-speed prime mover (CSPM) is presented on the basis of an effective algorithm based on its frequency-domain equivalent circuit. The operating characteristics of the three-phase SEIG coupled by a VSPM and/or a CSPM are evaluated on line processing under the condition of the electrical passive load parameters variations with simple and efficient computation processing procedure in unregulated voltage control loop scheme. A three-phase SEIG prototype setup with a VSPM as well as a CSPM is implemented for the small-scale clean renewable and alternative energy utilizations. The experimental operating characteristic results are illustrated and give good agreements with the simulation ones.

The New Substituent Constants in the Excited States

  • Shim Sang Chul;Park Joon Won;Ham Hie Seok
    • Bulletin of the Korean Chemical Society
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    • 제3권1호
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    • pp.13-18
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    • 1982
  • The new substituent constants $({\sigma}^{\ast})$ are calculated from the acidity constants $(pK^{\ast})$ of phenol derivatives in the excited state ($^1L_b$). These substituent constant are applied to the Hammett equations and found good correlation with $pK^{\ast}$ of 2,6-di-tert-butyl phenol, benzamide, nitroaniline, thiophenol, azobenzene, and benzoic acid derivatives. The correlation was much better than that of ground state substituent constants such as ${\sigma},\;{\sigma}^+$, and ${\sigma}^-$. From these results, the new substituent constants $({\sigma}^{\ast})$are proposed to be used for the linear free energy relationship in the $^1({\pi},{\pi}^{\ast})$ excited states of phenyl compounds.

An Immobilized Fenton Catalyst$^1$

  • Song, Pill-Soon;Choi, Jung-Do
    • Bulletin of the Korean Chemical Society
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    • 제1권3호
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    • pp.113-114
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    • 1980
  • Lumichrome (7,8-dimethylalloxazine) exhibits two fluorescence emission maxima at 440 and 540 nm in pyridine-dioxane. These emission band maxima are attributable to radiative decays from the excited states of lumichrome and its flavin tautomer, 7,8-dimethylisoalloxazine, respectively. The growth of the latter can be followed upon excitation of the former with a 2-nanosecond light pulse generated from the nitrogen plasma discharge lamp. The excited state tautomerism results from proton transfer from N-1 to N-10 position during the lifetime of the lumichrome singlet excited state. The rate depends on the concentration of general base, pyridine, and it is an order of magnitude slower than diffusion-controlled processes.

Rapid Energy Transfer Mechanism of F Electronic Excitation to the Vibration of Randomly Distributed $OH^- in KCI

  • 장두전;아철승
    • Bulletin of the Korean Chemical Society
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    • 제19권10호
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    • pp.1063-1068
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    • 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.