4 years ago

Engaging the Terminal: Promoting Halogen Bonding Interactions with Uranyl Oxo Atoms

Engaging the Terminal: Promoting Halogen Bonding Interactions with Uranyl Oxo Atoms
Jochen Autschbach, Lucas C. Ducati, Korey P. Carter, Robert G. Surbella, Mark Kalaj, Christopher L. Cahill
Means for engaging the nominally terminal oxo atoms of the uranyl cation in halogen bonding interactions are comprehensively probed in complexes featuring both chelating N-donors and polarizable halogen atoms, with the polarizability of the selected halogen found to be the driving force in promoting non-covalent assembly. Molecular electrostatic surface potentials demonstrate the viability of this strategy for promoting oxo atom engagement, while also highlighting limitations for evaluating supramolecular interactions using crystallographic metrics only. More information can be found in the Full Paper by C. L. Cahill et al. (DOI: 10.1002/chem.201702744).

Publisher URL: http://onlinelibrary.wiley.com/resolve/doi

DOI: 10.1002/chem.201703759

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