• 제목/요약/키워드: Excited electronic state

검색결과 76건 처리시간 0.028초

Vibronic Assignments of the $S_1 \rightarrow S_0$ Emission Spectrum of the Jet Cooled p-Fluorotoluene

  • 하영미;최익순;이상국
    • Bulletin of the Korean Chemical Society
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    • 제19권2호
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    • pp.202-206
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    • 1998
  • The p-fluorotoluene was vibronically excited in a jet with a buffer gas He in a corona excited supersonic expansion. The vibronic emission spectrum of the jet cooled p-fluorotoluene in the transition of S1 → S0 has been recorded with a Fourier transform spectrometer in the uv region. The spectrum observed was analyzed to obtain accurate vibrational frequencies in the ground electronic state by comparing with those reported previously. The origin of the low frequency sequence bands observed in this work was discussed. Also, the absence of significant intensity of hot band resulting from the excited vibrational states in the spectrum suggests extensive vibrational cooling in the source.

Photodissocaition Dynamics of Propiolic Acid at 212 nm: The OH Production Channel

  • Shin, Myeong Suk;Lee, Ji Hye;Hwang, Hyonseok;Kwon, Chan Ho;Kim, Hong Lae
    • Bulletin of the Korean Chemical Society
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    • 제33권11호
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    • pp.3618-3624
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    • 2012
  • Photodissociation dynamics of propiolic acid ($HC{\equiv}C-COOH$) at 212 nm in the gas phase was investigated by measuring rotationally resolved laser-induced fluorescence spectra of OH ($^2{\Pi}$) radicals exclusively produced in the ground electronic state. From the spectra, internal energies of OH and total translational energy of products were determined. The electronic transition at 212 nm responsible for OH dissociation was assigned as the ${\pi}_{C{\equiv}C}{\rightarrow}{\pi}^*{_{C=O}}$ transition by time-dependent density functional theory calculations. Potential energy surfaces of both the ground and electronically excited states were obtained employing quantum chemical calculations. It was suggested that the dissociation of OH from propiolic acid excited at 212 nm should take place along the $S_1/T_1$ potential energy surfaces after internal conversion and/or intersystem crossing from the initially populated $S_2$ state based upon the potential energy calculations and model calculations for energy partitioning of the available energy among products.

Variable-Speed Prime Mover Driving Three-Phase Self-Excited Induction Generator with Static VAR Compensator Voltage Regulation-Part H : Simulation and Experimental Results-

  • Ahmed, Tarek;Nagai, Schinichro;Soshin, Koji;Hiraki, Eiji;Nakaoka, Mutsuo
    • KIEE International Transaction on Electrical Machinery and Energy Conversion Systems
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    • 제3B권1호
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    • pp.10-15
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    • 2003
  • This paper presents the digital computer performance evaluations of the three-phase self-excited induction generator (SEIG) driven by the variable speed prime mover such as the wind turbine using the nodal admittance approach steady-state frequency domain analysis with the experimental results. The three-phase SEIG setup is implemented for small-scale rural renewable energy utilizations. The experimental performance results give a good agreement with those ones obtained from the digital computer simulation. Furthermore, a feedback closed-loop voltage regulation of the three-phase SEIG as a power conditioner which is driven by a variable speed prime mover employing the static VAR compensator (SVC) circuit composed of the thyristor phase controlled reactor (TCR) and the thyristor switched capacitor(TSC) is designed and considered herein for the wind-turbine driven the power conditioner. To validate the effectiveness of the SVC-based voltage regulator of the terminal voltage of the three-phase SEIG, an inductive load parameter disturbances in stand-alone are applied and characterized in this paper. In the stand-alone power utilization system, the terminal voltage response and thyristor triggering angle response of the TCR are plotted graphically. The simulation and the experimental results prove the effectiveness and validity of the proposed SVC which is controlled by the Pl controller in terms of fast response and high performances of the three-phase SEIG driven directly by the rural renewable energy utilization like a variable-speed prime mover.

State Encoding of Hidden Markov Linear Prediction Models

  • Krishnamurthy, Vikram;Poor, H.Vincent
    • Journal of Communications and Networks
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    • 제1권3호
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    • pp.153-157
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    • 1999
  • In this paper, we derive finite-dimensional non-linear fil-ters for optimally reconstructing speech signals in Switched Predic-tion vocoders, Code Excited Linear Prediction(CELP) and Differ-ential Pulse Code Modulation (DPCM). Our filter is an extension of the Hidden Markov filter.

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Vibronically Induced Two-Photon Transitions in Benzene

  • Chung, Gyu-Sung;Lee, Duck-Kwan
    • Bulletin of the Korean Chemical Society
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    • 제10권3호
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    • pp.298-302
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    • 1989
  • The strengths of two-photon transitions from the ground state to excited vibronic states in benzene are calculated by using the CNDO/2-U wave functions. The role of vibronic coupling in two-photon absorption process is discussed. The $A_{1{\bar{g}}}-A_{2g}^+$ two-photon transitions, which are forbidden by the identity-forbidden selection rule in single frequency two-photon absorption, are too weak to be experimentally observed even when two photons of different energies are used. It is because the transitions are forbidden also by the pseudo-parity selection rule which are applicable for alternant hydrocarbons such as benzene. It is also shown that the vibronic coupling is not very effective in altering the pseudo-parity property of the electronic state. The strength of the vibronically induced two-photon absorption is strongly affected by the presence of an electronic state from which two-photon absorption can borrow the intensity. It is pointed out that the pseudo-parity selection rule may be violated in such cases.

Rotational State Distributions of I2(B) from Vibrational Predissociation of I2(B)-Ne

  • Cho, Sung-Sil;Sun, Ho-Sung
    • Bulletin of the Korean Chemical Society
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    • 제25권9호
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    • pp.1397-1402
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    • 2004
  • The vibrational predissociation of triatomic, i.e., atom-diatom, van der Waals complexes in transient electronic excited state has been widely investigated. The predissociation rates or lifetimes are major concerns of the previous studies. Experimentally rotational state distributions of diatomic product are hardly investigated and few theoretical stuides on rotational state distributions have appeared in literature. In this work, choosing the frequently studied $I_2(B)-Ne$ complex as an example, we investigate the change of rotational state distributions of $I_2(B)-Ne$ produced from predissociation of the various initial states of $I_2(B)-Ne$. The present study on the rotational distributions indicates that rotational state distributions depend significantly on the predissociation energy and the van der Waals vibrational modes of $I_2(B)-Ne$. That is, the initial state dependency of rotational state distributions is extensively discussed.

Photophysical Properties of Chlorotriethylphosphinegold(I)

  • Kang, Jun-Gill;Jeong, Yong-Kwang;Oh, Sung-Il;Kim, Hyun-Jun;Park, Chang-Moon;Tiekink, Edward R.R.
    • Bulletin of the Korean Chemical Society
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    • 제31권8호
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    • pp.2151-2157
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    • 2010
  • Spectroscopic and quantum mechanical studies of the Et3PAuCl complex were performed to characterize the effect of aurophilicity on the optical properties. When excited with UV light at low temperature, the crystalline complex produced a deep luminescence in both the blue (high-energy) and red (low-energy) regions of the spectrum. The intensity of the low-energy luminescence was markedly reduced in the powdered state and quenched in the solution state. Time-dependent density functional theory (TD-DFT) calculations on electronic structures of both the ground and excited states of aggregates $[Et_3PAuCl]_n$ (n = 1 - 3) indicated that the low-energy luminescence was attributable to Au-centered transitions, which are significantly affected by aurophilic interactions. By contrast, the high-energy luminescence appeared to be independent of the state of the complex and was strongly associated with the charge transfer from Cl to Au.

m-Phenylene-Linked Bis-(Biradicals). Generation, Characterization and Computational Studies

  • Nicolaides, Athanassios;Tomioka, Hideo
    • Journal of Photoscience
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    • 제10권1호
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    • pp.165-173
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    • 2003
  • m-Phenylene-linked biscarbenes, bisnitrenes and carbenonitrenes can be formed photochemically from appropriate nitrogenous precursors. Generation of such reactive intermediates under matrix-isolation conditions allows for their characterization by spectroscopic techniques such as ESR, UV /vis and IR. The latter method is also useful in characterizing secondary products derived from these reactive intermediates. Computational chemistry methods complement experimental IR data, aiding, thus, in identification of such compounds. In addition electronic structure calculations help in developing qualitative and semi-quantitative models, which can be useful in predicting ground-state multiplicities. The parent systems of m-phenylene-linked carbenes and nitrenes have high-spin ground states, but a switching to lower multiplicity can be achieved by chemical substitution. The ground state and various low-lying excited states of m-phenylenecarbenonitrenes can be reasonably approximated by simple valence-bond depictions. Finally, m-phenylenecarbenonitrenes are photoreactive in the inert matrix isomerizing to cyclopropene derivatives.

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Transfer of Electronic Excitation Energy in Poltstyrene Films Doped with an Intramolecular Proton Transfer Compound

  • 강태종;김학진;정진갑
    • Bulletin of the Korean Chemical Society
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    • 제17권7호
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    • pp.616-621
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    • 1996
  • The transfer of excitation energy from solvent to solute in polystyrene films doped with 2-(2'-hydroxyphenyl)benzothiazole (HBT) which undergoes intramolecular proton transfer in excited electronic state has been studied by employing steady state and time-resolved fluorescence measurements. The degree of Forster overlap between donor and acceptor molecule in this system is estimated to be moderate. Energy transfer efficiency increases with solute concentration at low concentration range and levels off at high concentration. It is observed that the excimer form of polystyrene is largely involved in energy transfer process. Photostability of HBT in polystyrene to UV light is also investigated to get insight into the long wavelength absorption band of HBT which was observed upon electron radiation.

Photochemistry of 4-Aryl-4-Methyl-2-Cyclohexenone: Solvent Effect on the Excited States

  • Chae Woo Ki;Eun Ju Kwon;Jung-Hyu Shin
    • Bulletin of the Korean Chemical Society
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    • 제14권4호
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    • pp.497-499
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    • 1993
  • Irradiation of 4-biphenylyl-4-methyl-2-cyclohexenone (5) in benzene or methanol produced trans-6-biphenylyl-5-methylbicyclo[3,1,0]hexan-2-o ne (5a) and 3-biphenylyl-4-methylcyclohex-2-enone (5b). Electronic configurations of the excited states for 5a and 5b were assigned as n, ${\pi}^*$ and ${\pi}$, ${\pi}^*$ triplet states respectively. Irradiation of 4-methyl-4(${\beta}$-naphthyl)-2-cyclohexenone in benzene or methanol gave 4-methyl-3-(${\beta}$ -naphthyl)-2-cyclohexenone (6a), which is thought to arise from ${\pi}$, ${\pi}^*$ triplet state.