Martin Jarenmark
Forskningsingenjör
Diastereomerization Dynamics of a Bistridentate RuII Complex
Författare
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.
Avdelning/ar
- Centrum för analys och syntes
- Beräkningskemi
- eSSENCE: The e-Science Collaboration
Publiceringsår
2016-03-21
Språk
Engelska
Sidor
3015-3022
Publikation/Tidskrift/Serie
Inorganic Chemistry
Volym
55
Issue
6
Dokumenttyp
Artikel i tidskrift
Förlag
The American Chemical Society (ACS)
Ämne
- Inorganic Chemistry
Status
Published
ISBN/ISSN/Övrigt
- ISSN: 0020-1669