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Indian Journal of Chemistry -Section A (IJC-A) >
IJC-A Vol.51A [2012] >
IJC-A Vol.51A(11) [November 2012] >
| Title: | Primary amine-based palladium(II) complexes as catalysts for Suzuki-Miyaura reaction: Experimental and theoretical investigations on the effects of substituents on nitrogen atom |
| Authors: | Tairai, Archana
Bhattacharyya, Pradip K
Kar, Rahul
Das, Pankaj |
| Keywords: | Density functional calculations
Catalysts
Suzuki-Miyaura reactions
Cross coupling reactions
Palladium
Amine-based ligands |
| Issue Date: | Nov-2012 |
| Publisher: | NISCAIR-CSIR, India |
| Abstract: | Catalytic efficiencies of eight primary
amine-based palladium(II) complexes of general formula, trans-[PdCl2(RNH2)2] (1L1-L8), have
been evaluated for the Suzuki-Miyaura reaction of 4-bromonitrobenzene with phenylboronic
acid at room temperature in water. The efficiencies of the catalysts follow the
order: Ph3CNH2 (L8)
> Ph2CHNH2 (L7)
> Ph2CH2NH2
(L6) > tBuNH2 (L4) > CyNH2 (L5) > iPrNH2 (L2) > nBuNH2 (L3) > nPrNH2 (L1). In order to ascertain
the parameters affecting catalytic efficiencies, DFT based reactivity
descriptors have been analyzed for the ligands.
Good linear correlation is obtained between the observed yield (%) and the gas
phase reactivity descriptors (chemical hardness, chemical potential and
electrophilicity index). Good-to-excellent yields of coupling products are achieved
using the 1L8 complex as the
catalyst for a range of aryl halides. |
| Page(s): | 1545-1552 |
| CC License: |  CC Attribution-Noncommercial-No Derivative Works 2.5 India |
| ISSN: | 0975-0975(Online); 0376-4710(Print) |
| Source: | IJC-A Vol.51A(11) [November 2012]
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