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Spectroscopic manifestations of potential surface coupling along normal coordinates in transition metal complexes

  • David Wexler
  • Jeffrey I. Zink
  • Christian Reber
Chapter
Part of the Topics in Current Chemistry book series (TOPCURRCHEM, volume 171)

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.

Keywords

Potential Surface High Frequency Mode Vibronic Band Vibronic Structure Initial Wave Packet 
These keywords were added by machine and not by the authors. This process is experimental and the keywords may be updated as the learning algorithm improves.

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Copyright information

© Springer-Verlag 1994

Authors and Affiliations

  • David Wexler
    • 1
  • Jeffrey I. Zink
    • 1
  • Christian Reber
    • 2
  1. 1.Department of Chemistry and BiochemistryUniversity of CaliforniaLos AngelesUSA
  2. 2.Department of ChemistryUniversity of MontrealMontrealCanada

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