Diastereomerization Dynamics of a Bistridentate Ru-II Complex
Artikel i vetenskaplig tidskrift, 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.


M. Jarenmark

Lunds universitet

G. Carlstrom

Lunds universitet

L. A. Fredin

Lunds universitet

Joachim Wallenstein

Kemi och kemiteknik, Kemi och biokemi, Fysikalisk kemi

I. Doverbratt

Lunds universitet

Maria Abrahamsson

Kemi och kemiteknik, Kemi och biokemi, Fysikalisk kemi

P. Persson

Lunds universitet

Inorganic Chemistry

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

Vol. 55 3015-3022


Nanovetenskap och nanoteknik