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  • 1
    Electronic Resource
    Electronic Resource
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 104 (1996), S. 2467-2475 
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: Spectral change in optical absorption due to molecular alignment induced by electric poling has been studied experimentally and theoretically, in one- and two-dimensional charge-transfer carbazole molecules. After poling, an increase in absorbance at λmax was observed in 3,6-dinitrocarbazoles which present a two-dimensional charge-transfer character, while the absorbance at λmax decreased in 3-monosubstituted carbazoles which possess a one-dimensional charge-transfer character. From molecular-orbital calculations and evaluations of the molecular polarizability spectra for random and uniaxial orientations of the molecules, an explanation is provided for the poling behavior in terms of the vector directions of the transition and ground-state dipole moments of the molecules. Theoretical investigation of various conformers has been made, resulting in the suggestion that the poling behavior of absorption spectra should be strongly affected by the conformation of the acceptor groups in the case of disubstituted carbazoles. © 1996 American Institute of Physics.
    Type of Medium: Electronic Resource
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  • 2
    Electronic Resource
    Electronic Resource
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 104 (1996), S. 5406-5414 
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: A coupled electronic oscillator (CEO) analysis of the third harmonic generation (THG) spectrum for octatetraene is presented. The dominant oscillators and their couplings are identified using tree diagrams. The correspondence between the dominant oscillators in the CEO picture and the relevant excited states in the sum-over-states (SOS) description is demonstrated. The important channels in the SOS are related to the dominant oscillator pathways in the CEO picture. © 1996 American Institute of Physics.
    Type of Medium: Electronic Resource
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