Structural Variation in [PdX2{RE(CH2)nNMe2}] (E = Se, Te; X = Cl, OAc) Complexes: Experimental Results, Computational Analysis, and Catalytic Activity in Suzuki Coupling Reactions

作者: Dilip K. Paluru , Sandip Dey , Amey Wadawale , Dilip K. Maity , Nattamai Bhuvanesh

DOI: 10.1002/EJIC.201402943

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摘要: A series of chalcogenoether ligands RE(CH2)nNMe2 (1) [E = Se or Te; R Ph, o-tol (o-tol ortho-tolyl), Mes (Mes 2,4,6-trimethylphenyl); n 2 3] and their palladium complexes [PdX2{RE(CH2)nNMe2}]m [X Cl (2) OAc (3); m 1, 2] were synthesized. Complexes [PdCl2(RECH2CH2NMe2)] [R/E Ph/Se (2a), Mes/Se (2b), Mes/Te (2c)] isolated as monomers. [PdCl2(RECH2CH2CH2NMe2)]m (2d), Ph/Te (2e), o-tol/Te (2f)] exist in one monomeric two dimeric forms solution; ratio depends on E revealed by NMR spectroscopic data. Crystal structures 2a, 2b, 3b, 2d, 2f, 2e established. Compounds 2e, 2f also investigated means density functional theory (DFT)-based quantum chemical calculations to understand structural variation. The that contained acetate with 3 showed higher catalytic activity than other derivatives Suzuki C–C cross-coupling reactions.

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