Diastereomerization Dynamics of a Bistridentate Ru-II Complex
Journal article, 2016

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 similar to 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.

Author

M. Jarenmark

Lund University

G. Carlstrom

Lund University

L. A. Fredin

Lund University

Joachim Wallenstein

Chalmers, Chemistry and Chemical Engineering, Chemistry and Biochemistry, Physical Chemistry

I. Doverbratt

Lund University

Maria Abrahamsson

Chalmers, Chemistry and Chemical Engineering, Chemistry and Biochemistry, Physical Chemistry

P. Persson

Lund University

Inorganic Chemistry

0020-1669 (ISSN) 1520-510X (eISSN)

Vol. 55 6 3015-3022

Areas of Advance

Nanoscience and Nanotechnology (2010-2017)

Subject Categories

Chemical Sciences

DOI

10.1021/acs.inorgchem.5b02893

More information

Latest update

3/2/2018 9