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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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Article information


Submitted
25 Oct 2014
Accepted
13 Nov 2014
First published
19 Nov 2014

Dalton Trans., 2015,44, 506-510
Article type
Communication
Author version available

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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