Mechanistic Studies

Papers describing mechanistic studies.

Synthesis, characterization, and reactivity of zirconocene and hafnocene silyl hydride complexes

K. A. Kreutzer, Fisher, R. A. , Davis, W. M. , Spaltenstein, E. , and Buchwald, S. L. “Synthesis, characterization, and reactivity of zirconocene and hafnocene silyl hydride complexes”, Organometallics, 1991, 10(12), 4031-4035.

Stibathiolanes: synthesis, solid-state structure, and solution behavior

R. A. Fisher, Nielsen, R. B. , Davis, W. M. , and Buchwald, S. L. “Stibathiolanes: synthesis, solid-state structure, and solution behavior”, J. Am. Chem. Soc., 1991, 113(1), 165-171.

Kinetics and substituent effects in the formation of zirconocene thioaldehyde complexes: .beta.-hydride elimination versus cyclometalation

S. L. Buchwald and Nielsen, R. B. “Kinetics and substituent effects in the formation of zirconocene thioaldehyde complexes: .beta.-hydride elimination versus cyclometalation”, J. Am. Chem. Soc., 1988, 110(10), 3171-3175.

Reaction of dicyclopentadienylmethylenetitanium with organic halides: Evidence for a radical mechanism

S. L. Buchwald, Anslyn, E. V. , and Grubbs, R. H. “Reaction of dicyclopentadienylmethylenetitanium with organic halides: Evidence for a radical mechanism”, J. Am. Chem. Soc., 1985, 107(6), 1766-1768.

Pd-Catalyzed Amidations of Aryl Chlorides Using Monodentate Biaryl Phosphine Ligands: A Kinetic, Computational, and Synthetic Investigation

T. Ikawa, Barder, T. E. , Biscoe, M. R. , and Buchwald, S. L. “Pd-Catalyzed Amidations of Aryl Chlorides Using Monodentate Biaryl Phosphine Ligands: A Kinetic, Computational, and Synthetic Investigation”, J. Am. Chem. Soc., 2007, 129(43), 13001-13007.

Electronic Effects on the Selectivity of Pd-Catalyzed C–N Bond-Forming Reactions Using Biarylphosphine Ligands: The Competitive Roles of Amine Binding and Acidity

M. R. Biscoe, Barder, T. E. , and Buchwald, S. L. “Electronic Effects on the Selectivity of Pd-Catalyzed C–N Bond-Forming Reactions Using Biarylphosphine Ligands: The Competitive Roles of Amine Binding and Acidity”, Angew. Chem. Int. Ed., 2007, 46(38), 7232-7235.

Insights into Amine Binding to Biaryl Phosphine Palladium Oxidative Addition Complexes and Reductive Elimination from Biaryl Phosphine Arylpalladium Amido Complexes via Density Functional Theory

T. E. Barder and Buchwald, S. L. “Insights into Amine Binding to Biaryl Phosphine Palladium Oxidative Addition Complexes and Reductive Elimination from Biaryl Phosphine Arylpalladium Amido Complexes via Density Functional Theory”, J. Am. Chem. Soc., 2007, 129(39), 12003-12010.

Rationale Behind the Resistance of Dialkylbiaryl Phosphines toward Oxidation by Molecular Oxygen

T. E. Barder and Buchwald, S. L. “Rationale Behind the Resistance of Dialkylbiaryl Phosphines toward Oxidation by Molecular Oxygen”, J. Am. Chem. Soc., 2007, 129(16), 5096-5101.

Structural Insights into Active Catalyst Structures and Oxidative Addition to (Biaryl)phosphine−Palladium Complexes via Density Functional Theory and Experimental Studies

T. E. Barder, Biscoe, M. R. , and Buchwald, S. L. “Structural Insights into Active Catalyst Structures and Oxidative Addition to (Biaryl)phosphine−Palladium Complexes via Density Functional Theory and Experimental Studies”, Organometallics, 2007, 26(9), 2183-2192.

Evidence for the Formation and Structure of Palladacycles during Pd-Catalyzed C–N Bond Formation with Catalysts Derived from Bulky Monophosphinobiaryl Ligands

E. R. Strieter and Buchwald, S. L. “Evidence for the Formation and Structure of Palladacycles during Pd-Catalyzed C–N Bond Formation with Catalysts Derived from Bulky Monophosphinobiaryl Ligands”, Angew. Chem. Int. Ed., 2006, 45(6), 925-928.

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