کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
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1405554 | 1501749 | 2014 | 6 صفحه PDF | دانلود رایگان |
![عکس صفحه اول مقاله: Synthetic and structural investigation of [PdBr2(CNR)2] (R = Cy, Xyl) Synthetic and structural investigation of [PdBr2(CNR)2] (R = Cy, Xyl)](/preview/png/1405554.png)
• Dibromo-bis-isocyanide Pd complexes are prepared via metathetical reaction from chlorides.
• Geometry of complexes in solution and solid-state is established on basis of spectroscopic data.
• trans coordination modes are preferable for dibromo species in solution and in a solid state.
Reaction of cis-dichloro-bis-(cyclohexylisocyanide)palladium(II) ([PdCl2(CNCy)2], (1) or cis-dichloro-bis-(2,6-dimethylphenylisocyanide)palladium(II) ([PdCl2(CNXyl)2], (2) with excess of potassium bromide in acetone furnished complexes trans-dibromo-bis-(cyclohexylisocyanide)palladium(II) ([PdBr2(CNCy)2], (3) or trans-dibromo-bis-(2,6-dimethylphenylisocyanide)palladium(II) ([PdBr2(CNXyl)2], (4), respectively. Both compounds were characterized by elemental analyses (C, H, N), high resolution ESI+-MS, IR, 1H and 13C{1H} NMR spectroscopies, and their crystals were analyzed by a single-crystal and powder X-ray diffraction methods. To rationalize the dependence of the structure of 1–4 on type of halogen ligands, the Gibbs free energies of corresponding cis- and trans-isomers of 1–4 were estimated at the DFT B3LYP level of theory.
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Journal: Journal of Molecular Structure - Volume 1068, 25 June 2014, Pages 222–227