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Wyszukujesz frazę "33.20.Fb" wg kryterium: Temat


Wyświetlanie 1-3 z 3
Tytuł:
Franck-Condon Effects in Resonance Raman Spectra of TCNQ$\text{}^{-}$ and C$\text{}_{10}$H$\text{}_{8}^{+}$ Radicals. A Search for Dushinsky Rotation of Totally Symmetric Modes
Autorzy:
Zborowski, K.
Pawlikowski, M.
Powiązania:
https://bibliotekanauki.pl/articles/1933604.pdf
Data publikacji:
1995-09
Wydawca:
Polska Akademia Nauk. Instytut Fizyki PAN
Tematy:
33.20.Fb
Opis:
The resonance Raman spectra of tetracyanoquinodimethane anion (TCNQ$\text{}^{-}$) and naphthalene cation (C$\text{}_{10}$H$\text{}_{8}^{+}$) are analyzed in terms of theoretical model based on the Franck-Condon effects. The model includes also the effect of rotation of totally symmetric normal coordinates upon electronic excitation to the resonant state (Dushinsky effects). It is shown that such a simple model accounts correctly for the available resonance Raman spectra for TCNQ$\text{}^{-}$ and C$\text{}_{10}$H$\text{}_{8}^{+}$ radicals. The possible model refinements such as vibronic coupling effects are also briefly discussed.
Źródło:
Acta Physica Polonica A; 1995, 88, 3; 435-444
0587-4246
1898-794X
Pojawia się w:
Acta Physica Polonica A
Dostawca treści:
Biblioteka Nauki
Artykuł
Tytuł:
On the Franck-Condon Effects in the Absorption Spectrum of C$\text{}_{10}$H$\text{}_{8}$ Anion. the Analysis Based on the AB Initio MCSCF Method
Autorzy:
Andruniow, T.
Pawlikowski, M.
Powiązania:
https://bibliotekanauki.pl/articles/1968905.pdf
Data publikacji:
1998-05
Wydawca:
Polska Akademia Nauk. Instytut Fizyki PAN
Tematy:
33.20.Fb
Opis:
The near-IR, visible and UV regions of the absorption spectrum of naphthalene anion (C$\text{}_{10}$H$\text{}_{8}^{–}$) are studied in terms of full optimized reaction space multiconfiguration self-consistent field method applied with Dunning's double-zeta basis set including polarization and diffuse functions on the all hydrogen atoms. Computed Franck-Condon activity of the all (nine) totally symmetric vibrations in the seven low-energy transitions is discussed and compared to the available experimental data. The assignment for some electronic transitions in the visible part of the naphthalene anion absorption spectrum is corrected on the base of full optimized reaction space multiconfiguration self-consistent field computations. We have argued that two (overlapping) bands at 21700 cm$\text{}^{-1}$ and 26800 cm$\text{}^{-1}$ are due to 1$\text{}^{2}$B$\text{}_{1g}$ → 1$\text{}^{2}$A$\text{}_{u}$ and 1$\text{}^{2}$B$\text{}_{1g}$ → 2$\text{}^{2}$A$\text{}_{u}$ transitions rather than to the short-axis and long-axis polarized ones as was suggested in an earlier semiempirical treatment. An experimental method appropriate to verify this result is proposed.
Źródło:
Acta Physica Polonica A; 1998, 93, 5-6; 707-715
0587-4246
1898-794X
Pojawia się w:
Acta Physica Polonica A
Dostawca treści:
Biblioteka Nauki
Artykuł
Tytuł:
Depolarization Dispersion of Totally Symmetric Fundamentals in Resonance Raman Spectra. Analysis for Azobenzene Dyes
Autorzy:
Sassi, P.
Pawlikowski, M.
Powiązania:
https://bibliotekanauki.pl/articles/1945691.pdf
Data publikacji:
1996-09
Wydawca:
Polska Akademia Nauk. Instytut Fizyki PAN
Tematy:
33.20.Fb
Opis:
The resonance Raman excitation profiles and depolarization dispersions for totally symmetric vibrations are studied under the energy region corresponding to an excitation of two low-energy states of 4-nitro-4'-diethylaminoazobenzene dye. In a contrast to the earlier analysis of this dye we assume that the low-energy states of the molecule studied have different polarizations. It results in the depolarization dispersions of the Raman lines of totally symmetric vibrations. The effect is illustrated for two vibrations: ν$\text{}_{4}$=1342 cm$\text{}^{-1}$ and ν$\text{}_{7}$=1448 cm$\text{}^{-1}$ for which excitation profiles show distinctive intensity distribution patterns due to interferences between the vibrational manifolds of the overlapping states. The nature of the electronic (resonant) states and the magnitudes of Franck-Condon parameters determined from the experiment are also briefly discussed.
Źródło:
Acta Physica Polonica A; 1996, 90, 3; 509-518
0587-4246
1898-794X
Pojawia się w:
Acta Physica Polonica A
Dostawca treści:
Biblioteka Nauki
Artykuł
    Wyświetlanie 1-3 z 3

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