ROTATIONALLY RESOLVED FLUORESCENCE EXCITATION SPECTRA OF 4-DIMETHYLMINOBENZONITRILE ALONG TWO LOW FREQUENCY $COORDINATES.^{1}$

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Title: ROTATIONALLY RESOLVED FLUORESCENCE EXCITATION SPECTRA OF 4-DIMETHYLMINOBENZONITRILE ALONG TWO LOW FREQUENCY $COORDINATES.^{1}$
Creators: Tomer, J. L.; Held, A.; Pfanstiel, J. F.; Pratt, D. W.
Issue Date: 1990
Publisher: Ohio State University
Abstract: Rotationally resolved spectra of eight bands within $200 cm^{-1}$ of the $S_{1}$ origin of 4-dimethylaminobenzonitrile (DMABN) have been obtained. These bands have previously been assigned, at vibrational resolution, as progessions involving the inversion and torsional coordinates of the dimethylamino $group.^{2}$ At rotational resolution each band exhibits perpendicular-type structure, principally b type. All bands have been fit with a near-prolate symmetric top Hamiltonian, yielding the inertial parameters of the connected vibrational levels accurate to $\pm 0.1 MHz$. This information, together with the results of theoretical calculations, is then used to speculate about the geometry of DMABN in its $S_{0}$ and $S_{1}$ states, and how it changes along the two low frequency coordinates. Implications of these results for the presumed twisted internal charge transfer character of $S_{1}$ DMABN3 also will be discussed
Description: $^{1}$ Work supported by NSF. $^{2}$ V. H. Grassian, J. A. Warren, E. R. Bernstein, and H. V. Secor, J. Chem. Phys. 90, 3994 (1988). $^{3}$ Z. Grabowski, K. Rotkiewicz, A. Simiarczuk, and D. Crowley, Nouveau Journal de Chimie 3, 443 (1979).
Author Institution: Department of Chemistry, University of Pittsburgh
URI: http://hdl.handle.net/1811/18386
Other Identifiers: 1990-WH-2
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