Pyrrophens: Pyrrole-Based Hexadentate Ligands Tailor-Made for Uranyl (UO22+) Coordination and Molecular Recognition

Mayhugh, Jacob T.; Niklas, Julie E.; Forbes, Madeleine G.; Gorden, John D.; Gorden, Anne V.

doi:10.1021/acs.inorgchem.0c00439

Title: Pyrrophens: Pyrrole-Based Hexadentate Ligands Tailor-Made for Uranyl (UO₂²⁺) Coordination and Molecular Recognition

Journal Article · Fri Jun 26 00:00:00 EDT 2020 · Inorganic Chemistry

DOI:https://doi.org/10.1021/acs.inorgchem.0c00439· OSTI ID:1773753

Mayhugh, Jacob T. ^[1];

^[1]; Forbes, Madeleine G. ^[1];

^[1];

^[1]

Auburn Univ., AL (United States)

Derivatives of a novel pyrrole-containing Schiff base ligand system (called “pyrrophen”) are presented which feature substituted phenylene linkers (R¹ = R² = H (H₂L¹); R¹ = R² = CH₃ (H₂L²)) and a binding pocket modeled after macrocyclic species. These ligands bind neutral CH₃OH in the solid state through pyrrolic hydrogen-bonding. Here, the interaction of the uranyl cation (UO₂²⁺) and H₂L^1–2 yields planar hexagonal bipyramdial uranyl complexes, while the Cu²⁺ and Zn²⁺ complexes were found to self-assemble as dinuclear helicate complexes (M₂L₂) with H₂L¹ under identical conditions. The favorable binding of UO₂²⁺ over Zn²⁺ provides insight into the molecular recognition of uranyl over other metal species. Structural features of these complexes are examined with special attention to features of the UO₂²⁺ coordination environment which distinguish them from other related salophen and porphyrinoid complexes.

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Research Organization:: Auburn Univ., AL (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES). Chemical Sciences, Geosciences & Biosciences Division

Grant/Contract Number:: SC0019177

OSTI ID:: 1773753

Journal Information:: Inorganic Chemistry, Vol. 59, Issue 14; ISSN 0020-1669

Publisher:: American Chemical Society (ACS)Copyright Statement

Country of Publication:: United States

Language:: English

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37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
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Title: Pyrrophens: Pyrrole-Based Hexadentate Ligands Tailor-Made for Uranyl (UO22+) Coordination and Molecular Recognition

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Title: Pyrrophens: Pyrrole-Based Hexadentate Ligands Tailor-Made for Uranyl (UO₂²⁺) Coordination and Molecular Recognition