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Hydrogen Bonding to a Dinitrogen Complex at Room Temperature: Impacts on N2 Activation.

ABSTRACT: We report an experimental and computational analysis of the effects of hydrogen bonding to a metal dinitrogen complex. A series of H-bond donors over a wide p Ka range (? 20) interact with the nitrogen unit of a ReI-(N2) complex at room temperature. Analysis by 15N NMR, IR spectroscopy, association equilibria, and DFT studies indicates that the H-bonding interaction polarizes and weakens the N-N bond. These results provide insight into the role of the secondary sphere residues in nitrogenase enzymes.

SUBMITTER: Shanahan JP

PROVIDER: S-EPMC6541522 | biostudies-literature | 2019 May

REPOSITORIES: biostudies-literature

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Hydrogen Bonding to a Dinitrogen Complex at Room Temperature: Impacts on N2 Activation.

Shanahan James P JP Szymczak Nathaniel K NK

Journal of the American Chemical Society 20190514 21

We report an experimental and computational analysis of the effects of hydrogen bonding to a metal dinitrogen complex. A series of H-bond donors over a wide p Ka range (Δ 20) interact with the nitrogen unit of a ReI-(N2) complex at room temperature. Analysis by 15N NMR, IR spectroscopy, association equilibria, and DFT studies indicates that the H-bonding interaction polarizes and weakens the N-N bond. These results provide insight into the role of the ...[more]

PMID: 31083988

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