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Royal Society of Chemistry, CrystEngComm, 9(8), p. 662-665

DOI: 10.1039/b610718b

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Can a single C–H⋯F–C hydrogen bond make a difference? Assessing the H⋯F bond strength from 2-D1H-19F CP/MAS NMR

Journal article published in 2006 by Gerhard Althoff, José Ruiz ORCID, Venancio Rodríguez, Gregorio López, José Pérez, Christoph Janiak
This paper was not found in any repository, but could be made available legally by the author.
This paper was not found in any repository, but could be made available legally by the author.

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Abstract

Contrary to common belief a single C-H center dot center dot center dot F-C contact in [(eta(5)-C5H5) Pd(C6F5)(PPh3)] is strong enough to pair two independent molecules and render them crystallographically different as suggested by its strongest H-1 - F-19 dipole - dipole coupling in a 2-D CP/MAS PILGRIM NMR experiment together with solid state 1-D F-19{H-1} and 2-D F-19 RFDR NMR spectroscopy - thereby proving the power of 2-D solid-state NMR for assessing the strength of supramolecular contacts.