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Synthesis, characterization, and linkage isomerism in mononuclear ruthenium complexes containing the new pyrazolate-based ligand hpbl

A new tetradentate dinucleating ligand [1,1’-(4-methyl-1H-pyrazole-3,5-diyl)bis(1-(pyridin-2-yl)ethanol)] (Hpbl) containing an O/N mixed donor set of atoms has been synthesized and characterized by analytical and spectroscopic techniques. The Ru-Cl and Ru-aqua complexes containing this ligand of general formula [(RuX)-X-II(Hpb1)-(trpy)](Y+) (trpy = 2,2’:6’,2’’-terpyridine; X = Cl, y = 1; X = H2O, y = 2) have been prepared and thoroughly characterized by spectroscopic and electrochemical techniques. The Ru aqua complex 2 undergoes N -> O linkage isomerization as observed electrochemically, and the related thermodynamic and kinetic parameters are extracted from cyclic voltammetry experiments together with DIGISIM, a CV simulation package. Under basic conditions an additional isomer is observed where the pyrazolyl group in the Hpbl ligand is replaced by the geminal pyridyl group. Further structural and electronic characterization of all the isomers has been carried out by means of DFT calculations

Support from MINECO (CTQ2011-26440, CTQ-2013-49075-R, and CTQ2011-23156-C02-02) is gratefully acknowledged. L.F. is grateful for the award of a PIF doctoral grant from UAB. A.P. is grateful to the European Commission (CIG09-GA-2011-293900) and the Spanish MINECO (Ramon y Cajal contract RYC-2009-05226)

© Inorganic Chemistry, 2014, vol. 53, núm. 15, p. 8025-8035

American Chemical Society (ACS)

Author: Francàs, Laia
González Gil, Rosa María
Poater Teixidor, Albert
Fontrodona, Xavier
García-Antón, Jordi
Sala Román, Xavier
Escriche, Lluís
Llobet Dalmases, Antoni
Date: 2014 August 4
Abstract: A new tetradentate dinucleating ligand [1,1’-(4-methyl-1H-pyrazole-3,5-diyl)bis(1-(pyridin-2-yl)ethanol)] (Hpbl) containing an O/N mixed donor set of atoms has been synthesized and characterized by analytical and spectroscopic techniques. The Ru-Cl and Ru-aqua complexes containing this ligand of general formula [(RuX)-X-II(Hpb1)-(trpy)](Y+) (trpy = 2,2’:6’,2’’-terpyridine; X = Cl, y = 1; X = H2O, y = 2) have been prepared and thoroughly characterized by spectroscopic and electrochemical techniques. The Ru aqua complex 2 undergoes N -> O linkage isomerization as observed electrochemically, and the related thermodynamic and kinetic parameters are extracted from cyclic voltammetry experiments together with DIGISIM, a CV simulation package. Under basic conditions an additional isomer is observed where the pyrazolyl group in the Hpbl ligand is replaced by the geminal pyridyl group. Further structural and electronic characterization of all the isomers has been carried out by means of DFT calculations
Support from MINECO (CTQ2011-26440, CTQ-2013-49075-R, and CTQ2011-23156-C02-02) is gratefully acknowledged. L.F. is grateful for the award of a PIF doctoral grant from UAB. A.P. is grateful to the European Commission (CIG09-GA-2011-293900) and the Spanish MINECO (Ramon y Cajal contract RYC-2009-05226)
Format: application/pdf
ISSN: 0020-1669 (versió paper)
1520-510X (versió electrònica)
Document access: http://hdl.handle.net/10256/11431
Language: eng
Publisher: American Chemical Society (ACS)
Collection: MICINN/PN 2012-2014/CTQ2011-23156
Reproducció digital del document publicat a: http://dx.doi.org/10.1021/ic5009076
Articles publicats (D-Q)
Is part of: © Inorganic Chemistry, 2014, vol. 53, núm. 15, p. 8025-8035
Rights: Tots els drets reservats
Subject: Isomeria
Ruthenium compounds
Ruteni -- Compostos
Title: Synthesis, characterization, and linkage isomerism in mononuclear ruthenium complexes containing the new pyrazolate-based ligand hpbl
Type: info:eu-repo/semantics/article
Repository: DUGiDocs

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