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Martin Jarenmark

Martin Jarenmark

Research engineer

Martin Jarenmark

Diastereomerization Dynamics of a Bistridentate RuII Complex

Author

  • Martin Jarenmark
  • Göran Carlström
  • Lisa A. Fredin
  • Joachim Hedberg Wallenstein
  • Isa Doverbratt
  • Maria Abrahamsson
  • Petter Persson

Summary, in English

The unsymmetrical nature of a new tridentate ligand bis(quinolinyl)-1,3-pyrazole (DQPz) is exploited in a bistridentate Ru(II) complex [Ru(DQPz)2]2+ to elucidate an unexpected dynamic diastereomerism. Structural characterization based on a combination of nuclear magnetic resonance spectroscopy and density functional theory calculations reveals the first quantifiable diastereomerization dynamics for Ru complexes with fully conjugated tridentate heteroaromatic ligands. A mechanism that involves a large-scale twisting motion of the ligands is proposed to explain the dynamic interconversion between the observed diastereomers, and the analysis of both experiments and calculations reveals a potential energy landscape with a transition barrier for the diastereomerization of ∼70 kJ mol-1. The structural flexibility demonstrated around the central transition metal ion has implications for integration of complexes into catalytic and photochemical applications.

Department/s

  • Centre for Analysis and Synthesis
  • Computational Chemistry
  • eSSENCE: The e-Science Collaboration

Publishing year

2016-03-21

Language

English

Pages

3015-3022

Publication/Series

Inorganic Chemistry

Volume

55

Issue

6

Document type

Journal article

Publisher

The American Chemical Society (ACS)

Topic

  • Inorganic Chemistry

Status

Published

ISBN/ISSN/Other

  • ISSN: 0020-1669