Baig, Sylvie and Richard, Brigitte and Serp, Philippe and Mijoule, Claude and Hussein, Khansaa and Guihéry , Nathalie and Barthelat, Jean-Claude and Kalck, Philippe Synthesis and Theoretical Study of a Series of Dipalladium(I) Complexes Containing the Pd2(í-CO)2 Core. (2006) Inorganic Chemistry, vol. 45 (n° 5). pp. 1935-1944. ISSN 0020-1669
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Official URL: http://dx.doi.org/10.1021/ic050910n
The complex [PBu4]2[Pd2(í-CO)2Cl4] has been prepared in high yields by carbonylation of [PBu4]2[Pd2Cl6]. Methanol, potassium acetate, or CO readily reacted under ambient conditions to quantitatively afford a series of dipalladium- (I) complexes, namely [Pd2(í-CO)2Cl3(OCH3)]2-, [Pd2(í-CO)2Cl3(OC(O)CH3)]2-, [Pd2(í-CO)2Cl3(CO)]-, and [Pd2(í-CO)2Cl2(OCH3)(CO)]-, all of which have the Pd2(í-CO)2 core preserved. All these complexes have been characterized by infrared and NMR spectroscopies; the high îCO stretching wavenumbers observed and the diamagnetic character of these complexes prompted us to perform theoretical calculations to describe the electronic structure of the Pd2(í-CO)2 core and to gain an intimate description of the Pd-CO bonds. The pairing of the two lonely electrons of the Pd d9 atoms is due to the delocalization along the CO bridging ligands.
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