Chemical consequences of pyrazole orientation in Ru^II complexes of unsymmetric quinoline-pyrazole ligands

Summary, in English

A series of homoleptic Ru^II complexes including the tris-bidentate complexes of a new bidentate ligand 8-(1-pyrazol)-quinoline (Q1Pz) and bidentate 8-(3-pyrazol)-quinoline (Q3PzH), as well as the bis-tridentate complex of bis(quinolinyl)-1,3-pyrazole (DQPz) was studied. Together these complexes explore the orientation of the pyrazole relative to the quinoline. By examining the complexes structurally, photophysically, photochemically, electrochemically, and computationally by DFT and TD-DFT, it is shown that the pyrazole orientation has a significant influence on key properties. In particular, its orientation has noticeable effects on oxidation and reduction potentials, photostability and proton sensitivity, indicating that [Ru(Q3PzH)₃]²⁺ is a particularly good local environment acidity-probe candidate. copy; The Royal Society of Chemistry 2016.

• Författare: Joachim Hedberg Wallenstein; Lisa A. Fredin; Martin Jarenmark; Maria Abrahamsson; Petter Persson
• Avdelning/ar: Beräkningskemi; Centrum för analys och syntes; eSSENCE: The e-Science Collaboration
• Publiceringsår: 2016
• Språk: Engelska
• Sidor: 11723-11732
• Publikation/Tidskrift/Serie: Dalton Transactions
• Volym: 45
• Issue: 29
• Länkar: http://dx.doi.org/10.1039/c6dt01070a
• Dokumenttyp: Artikel i tidskrift
• Förlag: Royal Society of Chemistry
• Ämne: Theoretical Chemistry
• Status: Published
• ISBN/ISSN/Övrigt: ISSN: 1477-9226