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

• DOI: 10.1039/b610718b
• Publication Date: 2006-09-08T19:40:58Z
• Authors: Gerhard Althoff; José Ruiz; Venancio Rodríguez; Gregorio López; José Pérez; Christoph Janiak
• Keywords: J-coupling; Magnetic dipole–dipole interaction; Carbon-13 NMR satellite

Contrary to common belief a single C–H⋯F–C contact in [(η5-C5H5)Pd(C6F5)(PPh3)] is strong enough pair two independent molecules and render them crystallographically different as suggested by its strongest 1H–19F dipole–dipole coupling 2-D CP/MAS PILGRIM NMR experiment together with solid state 1-D 19F{1H} 19F RFDR spectroscopy – thereby proving the power of solid-state for assessing strength supramolecular contacts.