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Issue 21, 2015
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Time-resolved IR spectroscopy of a trinuclear palladium complex in solution

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Abstract

This paper presents a combined spectroscopic and theoretical analysis of a trinuclear [Pd3{Si(mtMe)3}2] complex (mtMe = methimazole) which has been demonstrated to be a potential catalyst for coupling reactions. It is a highly symmetric model system (D3 in the electronic ground state) for the investigation of electronic states and the structure of polynuclear transition metal complexes. Different time-resolved IR spectroscopic methods covering the femtosecond up to the microsecond range as well as density functional computations are performed to unravel the structure and character of this complex in the electronically excited state. These are the first time-resolved IR studies on a trinuclear Pd complex. Based on the interplay between the computational results and those from the IR studies a 3A state is identified as the lowest lying triplet state which has C2 symmetry.

Graphical abstract: Time-resolved IR spectroscopy of a trinuclear palladium complex in solution

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Publication details

The article was received on 14 Feb 2015, accepted on 24 Apr 2015, published on 01 May 2015 and first published online on 01 May 2015


Article type: Paper
DOI: 10.1039/C5CP00959F
Citation: Phys. Chem. Chem. Phys., 2015,17, 14138-14144
  • Open access: Creative Commons BY-NC license
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    Time-resolved IR spectroscopy of a trinuclear palladium complex in solution

    M. Zimmer, F. Rupp, P. Singer, F. Walz, F. Breher, W. Klopper, R. Diller and M. Gerhards, Phys. Chem. Chem. Phys., 2015, 17, 14138
    DOI: 10.1039/C5CP00959F

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