Background
Type: Article

Experimental and theoretical study of proton spin-lattice relaxation in H2-Ar gas mixtures: Critical examination of the XC(fit) potential energy surface

Journal: Journal of Chemical Physics (10897690)Year: 1 March 2004Volume: 120Issue: Pages: 4306 - 4315
Sabzyan H.a McCourt F.R.W. Power W.P.
DOI:10.1063/1.1644099Language: English

Abstract

Proton nuclear magnetic resonance spin-lattice relaxation time measurements were conducted at 500 MHz proton Larmor frequency on two hydrogen-argon gas mixtures. Relaxation times were also calculated using quantum mechanical close-coupled computations. The differences found between the experimental and theoretical results indicate that the short-range anisotropy of the potential surface is too weak. It was shown that the reciprocal regime possess much higher sensitivity to changes in the anisotropic component of the intermolecular potential energy surface.