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Please use this identifier to cite or link to this item: http://dspace.library.iitb.ac.in/jspui/handle/10054/11741

Title: Isomeric ruthenium terpyridine complexes [Ru(trpy)(L)Cl](n+) containing the unsymmetrically bidentate acceptor L=3-amino-6-(3,5-dimethylpyrazol-1-yl)-1,2,4,5-tetrazine. Synthesis, structures, electrochemistry, spectroscopy and DFT calculations
Authors: PATRA, S
SARKAR, B
GHUMAAN, S
PATIL, MP
MOBIN, SM
SUNOJ, RB
KAIM, W
LAHIRI, GK
Keywords: density-functional theory
effective core potentials
transition-metal-complexes
ray crystal-structure
spectroelectrochemical properties
charge-transfer
molecular calculations
polypyridyl complexes
redox properties
bridging ligand
Issue Date: 2005
Publisher: ROYAL SOC CHEMISTRY
Citation: DALTON TRANSACTIONS, (7), 1188-1194
Abstract: The isomeric title complexes were obtained in almost equimolar ratio from the reaction of Ru(trpy)Cl-3 and L. Crystal structure analyses of the perchlorate hemihydrates, electrochemical and spectroscopic (NMR, UV/VIS, EPR) studies, supported by DFT calculations, reveal distinct differences between the isomeric redox series [1](n+) (tetrazine-N-t trans to Cl) and [2](n+) (pyrazolyl-N-p trans to Cl; n = 0, 1, 2). The latter system with the pi acceptors trpy and tetrazine in the equatorial plane and the pyrazolyl and chloride donors in the axial positions exhibits facilitated oxidation, lower energy MLCT transitions, more balanced chelate coordination, and a higher g anisotropy in the oxidised (Ru-III) state. According to partially resolved EPR spectra of one-electron reduced neutral compounds 1 and 2 they have the unpaired electron predominantly in the tetrazine ring of L.
URI: http://dx.doi.org/10.1039/b500152h
http://dspace.library.iitb.ac.in/xmlui/handle/10054/11741
http://hdl.handle.net/10054/11741
ISSN: 1477-9226
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