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Molecular reorientation of CD 4 in gas‐phase mixtures
Author(s) -
ter Horst Marc A.,
Jameson Cynthia J.,
Jameson A. Keith
Publication year - 2006
Publication title -
magnetic resonance in chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.483
H-Index - 72
eISSN - 1097-458X
pISSN - 0749-1581
DOI - 10.1002/mrc.1756
Subject(s) - chemistry , deuterium , relaxation (psychology) , gas phase , molecule , buffer gas , molecular dynamics , analytical chemistry (journal) , atomic physics , computational chemistry , chromatography , organic chemistry , psychology , social psychology , laser , physics , optics
Abstract Spin‐lattice relaxation times were measured for the deuterons in CD 4 in pure gas and in mixtures with the following buffer gases: Ar, Kr, Xe, HCl, N 2 , CO, CO 2 , CF 4 , and SF 6 . Effective collision cross sections σ θ, 2 for the molecular reorientation of CD 4 in collisions with these ten molecules are obtained as a function of temperature. These cross sections are compared with the corresponding cross sections σ J obtained from 1 H spin‐rotation relaxation in mixtures of CH 4 with the same set of buffer gases. Various classical reorientation models typically applied in liquids predict different ratios of the reduced correlation times for the reorientation of spherical tops. The Langevin model comes closest to predicting the magnitude of the σ θ, 2 /σ J ratio that we obtain for CD 4 . Copyright © 2006 John Wiley & Sons, Ltd.