title: Weak intermolecular interactions in gas-phase nuclear magnetic resonance.
abstract: Gas-phase nuclear magnetic resonance (NMR) spectra demonstrating the effect of weak intermolecular forces on the NMR shielding constants of the interacting species are reported. We analyse the interaction of the molecular hydrogen isotopomers with He, Ne, and Ar, and the interaction in the He-CO(2) dimer. The same effects are studied for all these systems in the ab initio calculations. The comparison of the experimental and computed shielding constants is shown to depend strongly on the treatment of the bulk susceptibility effects, which determine in practice the pressure dependence of the experimental values. Best agreement of the results is obtained when the bulk susceptibility correction in rare gas solvents is evaluated from the analysis of the He-rare gas interactions, and when the shielding of deuterium in D(2)-rare gas systems is considered.
authors: Faculty of Chemistry, University of Warsaw, Pasteura 1, 02-093 Warsaw, Poland.
authors: Piotr
authors: P
authors: Garbacz
authors: Konrad
authors: K
authors: Piszczatowski
authors: Karol
authors: K
authors: Jackowski
authors: Robert
authors: R
authors: Moszynski
authors: Michał
authors: M
authors: Jaszuński
mesh_terms: D005740:Gases; D006859:Hydrogen / Q000737:chemistry; D009682:Magnetic Resonance Spectroscopy / Q000379:methods*; D013816:Thermodynamics
chemical_list: D005740:Gases; D006859:Hydrogen