Abstract
The emission spectrum of hexafluoroacetylacetonatedimethylgold(III), Me2Au(hfacac) at 10 K and the excitation spectrum of bishexafluoroacetylacetonatoplatinum(II), Pt(hfacac)2 in a molecular beam contain vibronic structure with an intensity distribution that is indicative of coupling between normal coordinates. Good fits to the spectra are obtained when two totally symmetric coordinates are coupled. The effects of coordinate coupling on electronic spectra are calculated by using the split operator technique for numerical integration of the time-dependent Schrödinger equation and the time-dependent theory of electronic spectroscopy. Spectra resulting from coupled surfaces contain unusual intensity distributions in the vibronic structure. The spectra are calculated and the trends in the intensity distributions are analyzed in terms of the sign and the magnitude of the distortion and the type and the magnitude of the coupling.
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© 1994 Springer-Verlag
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Wexler, D., Zink, J.I., Reber, C. (1994). Spectroscopic manifestations of potential surface coupling along normal coordinates in transition metal complexes. In: Yersin, H. (eds) Electronic and Vibronic Spectra of Transition Metal Complexes I. Topics in Current Chemistry, vol 171. Springer, Berlin, Heidelberg. https://doi.org/10.1007/3-540-58155-3_6
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DOI: https://doi.org/10.1007/3-540-58155-3_6
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