Počet záznamů: 1

Electronic and Vibrational Transition Moment Directions in 7-Dimethylamino-3-methyl-N-methyl-d(3)-4-phenylethynylcarbostyril

  1. 1.
    0370074 - UOCHB-X 2012 RIV US eng J - Článek v odborném periodiku
    Casher, D. L. - Kobr, L. - Michl, Josef
    Electronic and Vibrational Transition Moment Directions in 7-Dimethylamino-3-methyl-N-methyl-d(3)-4-phenylethynylcarbostyril.
    Journal of Physical Chemistry A. Roč. 115, č. 41 (2011), s. 11167-11178 ISSN 1089-5639
    Výzkumný záměr: CEZ:AV0Z40550506
    Klíčová slova: altitudinal molecular rotors * tinkertoy construction set * dipolar * nanotechnology
    Kód oboru RIV: CF - Fyzikální chemie a teoretická chemie
    Impakt faktor: 2.946, rok: 2011

    We report the synthesis and photophysical characterization of 7-dimethylamino-3-methyl-N-methyl-d(3)-4-phenylethynylcarbostyril, a chromophore of interest as a rotator in surface-mounted molecular rotors. Measurement of UV-vis absorption and fluorescence spectra, steady state fluorescence and excitation anisotropy, and linear dichroism in the IR and UV-vis permitted a determination of absolute vibrational and electronic transition moment directions in this previously unreported chromophore. The first singlet singlet absorption and fluorescence are polarized perpendicular to the axle of the rotator. Density functional theory calculations of electronic excitation and vibrational frequencies gave results in very good agreement with those observed. Calculated IR transition moment directions showed rather poor agreement with experiment.
    Trvalý link: http://hdl.handle.net/11104/0006767