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- W2000782178 abstract "Abstract Specific force field parameters have been derived through an optimisation procedure based on crystal structure data to describe the geometry of Pd II ‐phenanthroline complexes. The X‐ray structure of [Pd(CH 3 )(3‐ s Bu‐phen) 2 ][OTf] is also reported. Molecular mechanics calculations show that intramolecular steric interactions yield severe distortions from a square‐planar geometry of the metal atom, both in bischelated [Pd(3‐R‐phen) 2 ] 2+ and monochelated [Pd(CH 3 )(3‐R‐phen) 2 ] + complexes. A complete stereochemical analysis of the possible diastereoisomers of this last complex (R = s Bu) allows the rationalisation of its fluxional behaviour observed in solution. Complexes like [Pd(H)(3‐tmp‐phen) 2 ] + and [Pd{CH(C 6 H 5 )CH 2 C(O)OCH 3 }(3‐tmp‐phen)(CH 3 OH)] + (tmp = 1,2,2‐trimethylpropyl) have also been investigated as species reasonably involved in the copolymerisation reactions. It is suggested that the remarkable increase of the copolymer molecular weight obtained with the 3‐tmp‐phen ligand derives from the steric destabilisation of an intermediate species postulated for the termination reaction. (© Wiley‐VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2005)" @default.
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- W2000782178 date "2005-02-01" @default.
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- W2000782178 title "Stereochemical Investigation of Palladium( <scp>II</scp> ) Complexes with Phenanthroline Ligands: A Molecular Mechanics Approach" @default.
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- W2000782178 doi "https://doi.org/10.1002/ejic.200400444" @default.
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