Chiral distinction in square planar Pt and Pd complexes of 2,2′-bipyridine derivatives |
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| Authors: | Oscar Picazo Ibon Alkorta José Elguero Markku R Sundberg Jaana Valo Krzysztof Zborowski |
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| Institution: | (1) Instituto de Química Médica (C.S.I.C.), Juan de la Cierva, 3, 28006 Madrid, Spain;(2) Laboratory of Inorganic Chemistry, Department of Chemistry, University of Helsinki, P.O. Box 55 (A. I. Virtasen aukio 1), Helsinki, 00014, Finland;(3) Faculty of Chemistry, Jagiellonian University, 3 Ingardena Street, 30-060 Krakow, Poland |
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| Abstract: | A 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. |
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| Keywords: | Chiral distinction 2 2′ -bipyridine Square planar complexes Pt Pd |
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