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Issue 2, 2015
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Theoretical evidence of metal-induced structural distortions in a series of bipyrimidine-based ligands

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Abstract

Herein, we report theoretical evidence of the geometric changes occurring upon complexation, for a series of octupolar bipyrimidine-based ligands incorporating the NPh2 terminal donor group. It is shown that ligands 1 and 2 (4,4′,6,6′-tetrakis(N,N-diphenylaminostyryl)-[2,2′]bipyrimidine and 4,4′,6,6′-tetrakis((N,N-diphenyl)-9,9′-dioctyl-9H-fluorene-2-amine)-2,2′-bipyrimidine) exhibit a non-planar geometry with a torsion angle between both pyrimidine moieties of ∼25° and 50° respectively. 1a (complex of 1) becomes planar upon addition of ZnCl2 to the bipyrimidine moiety whereas 2a remains distorted. Furthermore, an assignment of the absorption bands for all compounds is presented.

Graphical abstract: Theoretical evidence of metal-induced structural distortions in a series of bipyrimidine-based ligands

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Publication details

The article was received on 25 Oct 2014, accepted on 13 Nov 2014 and first published on 19 Nov 2014


Article type: Communication
DOI: 10.1039/C4DT03291H
Author version available: Download Author version (PDF)
Citation: Dalton Trans., 2015,44, 506-510
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    Theoretical evidence of metal-induced structural distortions in a series of bipyrimidine-based ligands

    C. Latouche, H. Akdas-Kilig, J. Malval, J. Fillaut, A. Boucekkine and V. Barone, Dalton Trans., 2015, 44, 506
    DOI: 10.1039/C4DT03291H

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