Mechanism of proton transfer in the strong OHN intermolecular hydrogen bond

RSC Advances Pub Date: 2011-07-29 DOI: 10.1039/C1RA00219H

Abstract

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?H bond length gradually changes from 1.403(10) ? at 300 K to 1.424(4) ? 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.

Graphical abstract: Mechanism of proton transfer in the strong OHN intermolecular hydrogen bond
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