Stereochemical Investigation of Palladium(II) Complexes with Phenanthroline Ligands: A Molecular Mechanics Approach
作者： Mario Calligaris , Ennio Zangrando , Barbara Milani,Angelica Marson
关键词:
摘要: Specific force field parameters have been derived through an optimisation procedure based on crystal structure data to describe the geometry of PdII-phenanthroline complexes. The X-ray [Pd(CH3)(3-sBu-phen)2][OTf] is also reported. Molecular mechanics calculations show that intramolecular steric interactions yield severe distortions from a square-planar metal atom, both in bischelated [Pd(3-R-phen)2]2+ and monochelated [Pd(CH3)(3-R-phen)2]+ A complete stereochemical analysis possible diastereoisomers this last complex (R = sBu) allows rationalisation its fluxional behaviour observed solution. Complexes like [Pd(H)(3-tmp-phen)2]+ [Pd{CH(C6H5)CH2C(O)OCH3}(3-tmp-phen)(CH3OH)]+ (tmp 1,2,2-trimethylpropyl) investigated as species reasonably involved copolymerisation reactions. It suggested remarkable increase copolymer molecular weight obtained with 3-tmp-phen ligand derives destabilisation intermediate postulated for termination reaction. (© Wiley-VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2005)
core.ac.uk
sci-hub.se 参考文章(25)
Alexander von Zelewsky, Stereochemistry of coordination compounds ,(1996)
Barbara Milani, Alessandro Scarel, Giovanni Mestroni, Serafino Gladiali, Rossana Taras, Carla Carfagna, Luca Mosca, Very Stable Palladium(II)−(N−N) Catalysts for the Synthesis of High-Molecular-Weight CO/Styrene Polyketones Organometallics. ,vol. 21, pp. 1323- 1325 ,(2002) , 10.1021/OM011020S
Thomas A. Halgren, Maximally diagonal force constants in dependent angle-bending coordinates. II. Implications for the design of empirical force fields Journal of the American Chemical Society. ,vol. 112, pp. 4710- 4723 ,(1990) , 10.1021/JA00168A015
Dudley R. Herschbach, Victor W. Laurie, Anharmonic Potential Constants and Their Dependence upon Bond Length Journal of Chemical Physics. ,vol. 35, pp. 458- 464 ,(1961) , 10.1063/1.1731952
A. C. Hazell, A. Mukhopadhyay, Structure of bis(1,10‐phenanthroline)platinum(II) dichloride trihydrate Acta Crystallographica Section B Structural Crystallography and Crystal Chemistry. ,vol. 36, pp. 1647- 1649 ,(1980) , 10.1107/S0567740880006796
Ture Damhus, Claus E. Schaeffer, Three reference systems for chirality specification. Application, geometric properties, and mutual relationships Inorganic Chemistry. ,vol. 22, pp. 2406- 2412 ,(1983) , 10.1021/IC00159A014
Silvano Geremia, Lucio Randaccio, Giovanni Mestroni, Barbara Milani, Dalton communications. Bow–step and twist conformations and stacking interactions in palladium bipyridine and phenanthroline complexes Journal of The Chemical Society-dalton Transactions. pp. 2117- 2118 ,(1992) , 10.1039/DT9920002117
Barbara Milani, Gianni Corso, Giovanni Mestroni, Carla Carfagna, Mauro Formica, Roberta Seraglia, Highly Efficient Catalytic System for the CO/Styrene Copolymerization: Toward the Stabilization of the Active Species Organometallics. ,vol. 19, pp. 3435- 3441 ,(2000) , 10.1021/OM000342D
Mario Calligaris, Lucio Randaccio, Stereochemical Analysis of Cobalt(III) Complexes with Tridentate Imino‐ and Amino‐Oxime Ligands European Journal of Inorganic Chemistry. ,vol. 2002, pp. 2920- 2927 ,(2002) , 10.1002/1099-0682(200211)2002:11<2920::AID-EJIC2920>3.0.CO;2-4
J.H. Groen, B.J. de Jong, J.-M. Ernsting, P.W.N.M. van Leeuwen, K. Vrieze, W.J.J. Smeets, A.L. Spek, SYNTHESIS, CHARACTERIZATION AND REACTIVITY OF IONIC PALLADIUM(II) COMPLEXES CONTAINING BIDENTATE NITROGEN LIGANDS IN A UNIDENTATE COORDINATION MODE Journal of Organometallic Chemistry. ,vol. 573, pp. 3- 13 ,(1999) , 10.1016/S0022-328X(98)00596-8