Direct Observation of Scattering Angle Dependence of the Inelasticity Effect on the Interference Term Obtained from Time-of-Flight Neutron Diffraction Experiments
- 15 October 2021
- journal article
- research article
- Published by Oxford University Press (OUP) in Bulletin of the Chemical Society of Japan
- Vol. 94 (12), 2800-2806
- https://doi.org/10.1246/bcsj.20210315
Abstract
Scattering angle dependence has been experimentally examined for inelasticity effect on the intramolecular interference term observed from the time-of-flight neutron diffraction method. Internuclear distance and its root-mean-square displacement for liquid pure D2O, C6D6 and CCl4, have been determined from the least squares fitting analysis of the observed total interference term in the high-Q region. Although “apparent shrinkage” in the intramolecular distance has obviously been observed for the light nuclei pair at large scattering angle data (2θ > ca. 70°), it has been revealed that the apparent shrinkage in the D…D distance for D2O and C6D6, in which the inelasticity effect is expected to be most significant, is found to be suppressed well within ca. 1% for the data observed for the scattering angle below ca. 2θ < ca. 50°. Structural parameters determined have been compared with those determined from the gas-phase electron diffraction method in order to obtain insight of the effect of intermolecular interaction to molecular geometry in the liquid phase.This publication has 38 references indexed in Scilit:
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