PABLO
ESPINET RUBIO
Investigador en el periodo 1986-2021
Agustí
Lledós
Publicaciones en las que colabora con Agustí Lledós (8)
2021
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Understanding the Use of Phosphine-(EWO) Ligands in Negishi Cross-Coupling: Experimental and Density Functional Theory Mechanistic Study
Organometallics, Vol. 40, Núm. 14, pp. 2272-2282
2017
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Speciation of ZnMe2, ZnMeCl, and ZnCl2 in Tetrahydrofuran (THF), and Its Influence on Mechanism Calculations of Catalytic Processes
ACS Catalysis, Vol. 7, Núm. 5, pp. 3575-3583
2011
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Cationic intermediates in the Pd-catalyzed negishi coupling. Kinetic and density functional theory study of alternative transmetalation pathways in the Me-Me coupling of ZnMe2 and trans -[PdMeCl(PMePh2) 2]
Journal of the American Chemical Society, Vol. 133, Núm. 34, pp. 13519-13526
2010
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Palladium round trip in the Negishi coupling of trans- [PdMeCl(PMePh 2)2] with ZnMeCl: An experimental and DFT study of the transmetalation step
Chemistry - A European Journal, Vol. 16, Núm. 29, pp. 8596-8599
2009
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The role of amide ligands in the stabilization of Pd(II) tricoordinated complexes: Is the Pd-NR2 bond order single or higher?
Theoretical Chemistry Accounts, Vol. 123, Núm. 1-2, pp. 75-84
2008
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When are tricoordinated PdII species accessible? stability trends and mechanistic consequences
Chemistry - A European Journal, Vol. 14, Núm. 29, pp. 8986-8994
2006
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A critical analysis of the cyclic and open alternatives of the transmetalation step in the stille cross-coupling reaction
Journal of the American Chemical Society, Vol. 128, Núm. 45, pp. 14571-14578