4.6 Article

Mechanism of proton transfer in the strong OHN intermolecular hydrogen bond

Journal

RSC ADVANCES
Volume 1, Issue 2, Pages 219-228

Publisher

ROYAL SOC CHEMISTRY
DOI: 10.1039/c1ra00219h

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Funding

  1. Science and Technology Facilities Council

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The structure of the complex of 3,5-dinitrobenzoaic acid with 3,5-dimethylpyridine was studied by neutron diffraction at 330, 300, 270, 240, 210, 180, 150, 120, 90, 60, and 30 K. The O center dot center dot center dot H bond length gradually changes from 1.403(10) angstrom at 300 K to 1.424(4) angstrom at 30 K. The proton shifts in the hydrogen bridge towards the acceptor nitrogen atom. Temperature-dependent changes in the strong OHN hydrogen bond are used to discuss the proton transfer mechanism.

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