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Latouche, C., Akdas-Kilig, H., Malval, J.-P., Fillaut, J.-L., Boucekkine, A. & Barone, V. (2015) Theoretical evidence of metal-induced structural distortions in a series of bipyrimidine-based ligands. Dalton Trans. 44 506–510. 
Added by: Richard Baschera (2016-09-27 07:35:11)
Type de référence: Article
DOI: 10.1039/C4DT03291H
Numéro d'identification (ISBN etc.): 1477-9226
Clé BibTeX: Latouche2015b
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Catégories: HORSIMN
Créateurs: Akdas-Kilig, Barone, Boucekkine, Fillaut, Latouche, Malval
Collection: Dalton Trans.
Consultations : 7/440
Indice de consultation : 2%
Indice de popularité : 0.5%
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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 and (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. (complex of ) becomes planar upon addition of ZnCl2 to the bipyrimidine moiety whereas remains distorted. Furthermore, an assignment of the absorption bands for all compounds is presented.
Added by: Richard Baschera  
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