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Creators/Authors contains: "Smith, Brett A"

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Ligand engineering of tetra N-heterocyclic carbenes for boosting catalytic aziridination

https://doi.org/10.1039/D4DT01084A

Smith, Brett A; Hakimov, Somon; Jenkins, David M; Vogiatzis, Konstantinos D (September 2024, Dalton Transactions)

A comprehensive computational study on the underlying reactivity of iron tetra-NHC complexes for C₂+ N₁aziridination catalysis is presented.
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Disparate reactivity of a chiral iron( ii ) tetracarbene complex with organic azides

https://doi.org/10.1039/D4DT01422G

Russell, Jerred J; DeJesus, Joseph F; Smith, Brett A; Nalaoh, Phattananawee; Vogiatzis, Konstantinos D; Jenkins, David M (July 2024, Dalton Transactions)

A chiral tetra-NHC iron(ii) complex and its disparate reactivity with multiple organic azides is reported.
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Data-driven ligand field exploration of Fe( iv )–oxo sites for C–H activation

https://doi.org/10.1039/D2QI01961B

Jones, Grier M.; Smith, Brett A.; Kirkland, Justin K.; Vogiatzis, Konstantinos D. (February 2023, Inorganic Chemistry Frontiers)

We have explored the ligand topology of high-valent Fe(iv)–oxo complexes for screening a large molecular database with machine learning.
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σ-Donation and π-Backdonation Effects in Dative Bonds of Main-Group Elements

https://doi.org/10.1021/acs.jpca.1c05956

Smith, Brett A.; Vogiatzis, Konstantinos D. (September 2021, The Journal of Physical Chemistry A)

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Nature of the Short Rh–Li Contact between Lithium and the Rhodium ω-Alkenyl Complex [Rh(CH ₂ CMe ₂ CH ₂ CH═CH ₂ ) ₂ ] ⁻

https://doi.org/10.1021/acs.inorgchem.1c00737

Liu, Sumeng; Smith, Brett A.; Kirkland, Justin K.; Vogiatzis, Konstantinos D.; Girolami, Gregory S. (June 2021, Inorganic Chemistry)
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Synthesis and Characterization of Cu(II) and Mixed-Valence Cu(I)Cu(II) Clusters Supported by Pyridylamide Ligands

https://doi.org/10.1021/acs.inorgchem.0c00008

Schneider, Joseph D.; Smith, Brett A.; Williams, Grant A.; Powell, Douglas R.; Perez, Felio; Rowe, Gerard T.; Yang, Lei (April 2020, Inorganic Chemistry)

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