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   https://doi.org/10.1021/jacs.4c08297  

   Keil, Philip_M; Ezendu, Sophia; Schulz, Annika; Kubisz, Malte; Szilvási, Tibor; Hadlington, Terrance_J (August 2024, Journal of the American Chemical Society)
2. Ligand‐Enabled δ‐C(sp ³ )−H Borylation of Aliphatic Amines

   https://doi.org/10.1002/anie.202105204  

   Chandrashekar, Hediyala B.; Dolui, Pravas; Li, Bijin; Mandal, Astam; Liu, Hao; Guin, Srimanta; Ge, Haibo; Maiti, Debabrata (July 2021, Angewandte Chemie International Edition)

   Abstract Directed C−H functionalization has been realized as a complimentary technique to achieve borylation at a distal position of aliphatic amines. Here, we demonstrated the oxidative borylation at the distal δ‐position of aliphatic amines using various borylating agents, a palladium catalyst, and a rightly tuned ligand in the presence of a cheap oxidant. Moreover, an organopalladium δ‐C(sp³)‐H‐activated intermediate has been isolated and crystallographically characterized to get mechanistic insight. 

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3. Placing gold on a π ⁺ -surface: ligand design and impact on reactivity

   https://doi.org/10.1039/D2SC05574K  

   Liu, Wei-Chun; Gabbaï, François P. (January 2023, Chemical Science)

   We describe a novel gold chloride complex supported by an ambiphilic phosphine/xanthylium ligand in which the AuCl moiety interacts with the π + surface of the xanthylium unit as indicated by structural studies. Energy decomposition analyses carried out on a model system indicates the prevalence of non-covalent interactions in which the electrostatic and dispersion terms cumulatively dominate. The presence of these AuCl–π + interactions correlates with the high catalytic activity of this complex in the cyclisation of 2-(phenylethynyl)phenylboronic acid, N -propargyl- t -butylamide, and 2-allyl-2-(2-propynyl)malonate. Comparison with the significantly less active acridinium and the 9-oxa-10-boraanthracene analogues reinforces this conclusion. 

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4. Ligand design for ²²⁷ Ac extraction by active learning and molecular topology

   https://doi.org/10.1039/d5dd00007f  

   Laub, Jeffrey A; Vogiatzis, Konstantinos D (April 2025, Digital Discovery)

   An active learning workflow that combines electronic structure and molecular topology was developed for the in silico design of organic ligands for actinium capture in solution. 

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5. Round-Trip Oxidative Addition, Ligand Metathesis, and Reductive Elimination in a P ^III /P ^V Synthetic Cycle

   https://doi.org/10.1021/jacs.0c07580  

   Lim, Soohyun; Radosevich, Alexander T. (September 2020, Journal of the American Chemical Society)

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