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Chiral distinction in square planar Pt and Pd complexes of 2,2′-bipyridine derivatives

AuthorsPicazo, O.; Alkorta, Ibon ; Elguero, José ; Sundberg, M. R.; Valo, J.; Zborowski, K. K.
Issue Date2009
PublisherKluwer Academic Publishers
CitationStructural Chemistry 20: 557- 563 (2009)
AbstractA computational study of square planar organometallic complexes formed by the ligand 2,2′-bipyridine and all its possible difluoro derivatives in analogous position of the aromatic rings (n,n′-difluoro-2,2′-bipyridine, where n = n′ = 3, 4, 5, and 6) and two M-X2 (M = Pd and Pt and X = F, Cl, Br, and I) fragments has been carried out amounting to a total of 80 complexes. Relationships have been found between the chiral distinction energy and the different chemical moieties present. Using the statistical Free-Wilson method, the relative energies between the diastereomeric complexes have been correlated with the position of the substituent, the counter anion, and the central metal cation. © Springer Science+Business Media, LLC 2009.
Publisher version (URL)http://dx.doi.org/10.1007/s11224-009-9463-7
Identifiersdoi: 10.1007/s11224-009-9463-7
issn: 1040-0400
e-issn: 1572-9001
Appears in Collections:(IQM) Artículos
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