NMR relaxation and classical trajectory studies of anisotropic intermolecular forces.

摘要

uclear spin relaxation in the gas phase is related to the anisotropic part of the intermolecular potential energy surface. Spin-lattice relaxation times can be related to collision cross sections that have been defined in terms of collision-induced changes of the rotational angular momentum vector of the molecule containing the relaxing nucleus.;To investigate the relation of these cross sections to the intermolecular potential energy surface, the classical trajectory method has been used to calculate a collection of collision cross sections for five linear molecule atom systems. For the CO;Nuclear magnetic resonance has been used to measure relaxation times of the