کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
1325542 | 1499940 | 2010 | 5 صفحه PDF | دانلود رایگان |
Applying DFT methods, the reductive elimination reaction of bis(pyridyl) rare-earth metal cation [Ln(η2-C,N-pyridyl)2(THF)3]+ (Ln = Y, La) was studied. The effect of both electron-donating and electron-withdrawing substituents in the para-position of the pyridine ring was considered. An alternative mechanism for the C–C coupling reaction between pyridine derivatives (pyridine, DMAP and 4-trifluoromethyl-pyridine) and [LnMe2(THF)5]+ (Ln = Y or La) is suggested. The reaction involves a single electron reductive C–C coupling to form of Ln(II) complexes with a bipyridine radical anion.
Applying DFT methods, the reductive elimination reaction of bis(pyridyl) rare-earth metal cation [Ln(η2-C,N-pyridyl)2(THF)3]+ (Ln = Y, La) was studied. An alternative mechanism for the C–C coupling reaction between pyridine ligands is suggested. The reaction involves a single electron reductive C–C coupling to form of Ln(II) complexes with bipyridine radical anions.Figure optionsDownload as PowerPoint slideResearch highlights
► Monoelectronic reductive C-C coupling reaction is not possible for the DMAP with yttrium cations.
► Monoelectronic reductiveC-C coupling is calculated to be a possible reaction for the 4-trifluoromethyl) pyridine.
► The non reductive C-C coupling is found to be even less favourable in all cases.
Journal: Journal of Organometallic Chemistry - Volume 695, Issues 25–26, 1–15 December 2010, Pages 2789–2793