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In silico screening of P , N -ligands facilitates optimization of Au( iii )-mediated S -arylation

https://doi.org/10.1039/D4SC05920D

Treacy, Joseph W; Tilden, James_A R; Chao, Elaine Y; Fu, Zihuan; Spokoyny, Alexander M; Houk, K N; Maynard, Heather D (February 2025, Chemical Science)

In silicoexamination of 13P,N-ligated Au(iii) OACs determined the key mechanistic factors governing Au(iii)-mediatedS-arylation. Three complexes were synthesized which exhibited bimolecular coordination rate constants as high as 20 200 M⁻¹s⁻¹.
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Electronic Effects of Bidentate P , N -Ligands on the Elementary Steps of Au(I)/Au(III) Reactions Relevant to Cross-Coupling Chemistry

https://doi.org/10.1021/acs.orglett.4c04045

Treacy, Joseph W; Chao, Elaine Y; Kunkel, Grace E; Louis-Goff, Thomas; Tilden, James_A R; Spokoyny, Alexander M; Maynard, Heather D; Houk, K N (December 2024, Organic Letters)

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Organometallic Chemistry Tools for Building Biologically Relevant Nanoscale Systems

https://doi.org/10.1021/jacs.4c07110

Tilden, James_A R; Doud, Evan A; Montgomery, Hayden R; Maynard, Heather D; Spokoyny, Alexander M (November 2024, Journal of the American Chemical Society)

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Ultrafast Au(III)-Mediated Arylation of Cysteine

https://doi.org/10.1021/jacs.3c12170

Doud, Evan A; Tilden, James_A R; Treacy, Joseph W; Chao, Elaine Y; Montgomery, Hayden R; Kunkel, Grace E; Olivares, Eileen J; Adhami, Nima; Kerr, Tyler A; Chen, Yu; et al (May 2024, Journal of the American Chemical Society)

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