Ruthenium Complexes with Chiral bis-Pinene Ligands : an Array of Subtle Structural Diversity
Vaquer Malia, Lydia (Institut Català d'Investigació Química)
Poater, Albert (Universitat de Girona)
De Tovar Villanueva, Jonathan (Universitat Autònoma de Barcelona. Departament de Química)
García-Antón, Jordi (Universitat Autònoma de Barcelona. Departament de Química)
Solà i Puig, Miquel (Universitat de Girona. Departament de Química)
Llobet Dalmases, Antoni (Universitat Autònoma de Barcelona. Departament de Química)
Sala Román, Xavier (Universitat Autònoma de Barcelona. Departament de Química)

Date:	2013
Abstract:	A new chiral derivative of the N,N-bis(2-pyridylmethyl)ethylamine (bpea) ligand, Me-pinene[5,6]bpea [(−)-L1], has been prepared from a new aldehyde building block [Me-pinene-aldehyde, (−)-4] arising from the monoterpene chiral pool. The tridentate (−)-L1 ligand has been employed to prepare a new set of Ru-Cl complexes in combination with didentate 2,2'-bipyridine (bpy) with the general formula [RuCl((−)-L1)(bpy)]+. These complexes have been characterized in solution by cyclic voltammetry, UV-vis, and 1D and 2D NMR spectroscopy. Isomeric mixtures of trans,fac-C1a and anti,mer-C1c compounds are formed when (−)-L1 is reacted with a [Ru(bpy)(MeOH)Cl3] precursor. Density functional theory calculations of all of the potential isomers of this reaction have been performed in order to interpret the experimental results in terms of electronic and steric effects and also to unravel the observed isomerization pathway between anti,mer-C1c and trans,fac-C1a.
Grants:	Ministerio de Ciencia e Innovación CTQ2011-26440 Ministerio de Ciencia e Innovación CTQ2010-21497 Ministerio de Ciencia e Innovación CTQ2011-23156 Ministerio de Ciencia e Innovación RYC-2009-05226 Agència de Gestió d'Ajuts Universitaris i de Recerca 2009/SGR-637 Agència de Gestió d'Ajuts Universitaris i de Recerca 2011BE100793 European Commission 293900
Rights:	Tots els drets reservats.
Language:	Anglès
Document:	Article ; recerca ; Versió acceptada per publicar
Subject:	Energy ; Isomerization ; Ligands ; Metals ; Molecular structure
Published in:	Inorganic Chemistry, Vol. 52, Issue 9 (May 2013) , p. 4985-4992, ISSN 0020-1669

DOI: 10.1021/ic302678b

Postprint 10 p, 1.3 MB

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