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Tritium nuclear magnetic resonance study of T-2, HT, and DT dissolved in nematic solvents

TitleTritium nuclear magnetic resonance study of T-2, HT, and DT dissolved in nematic solvents
Publication TypeJournal Article
Year of Publication1997
AuthorsBurnell, EE, de Lange, CA, Segre, AL, Capitani, D, Angelini, G, Lilla, G, Barnhoorn, JBS
JournalPhysical Review E
Volume55
Pagination496-503
Date PublishedJan
Type of ArticleArticle
ISBN Number1063-651X
KeywordsELECTRIC-FIELD GRADIENTS, ENVIRONMENTS, LIQUID-CRYSTAL MIXTURES, MECHANISMS, METHANES, MOLECULAR-HYDROGEN, NMR, orientational order, SOLUTES
Abstract

A tritium nuclear magnetic resonance study is carried out on the T-2, HT, and DT isotopomers of dihydrogen dissolved in various nematic phases, including a zero-electric-field-gradient mixture. Ab initio calculations are performed to reproduce the observed dipolar couplings. Within the framework of the ’’mean-field’’ approximation, the results provide support for a picture in which two independent contributions to the solute orientation can be distinguished. One contribution involves a liquid-crystal-dependent interaction between the mean solvent electric-field gradient and the solute molecular quadrupole moment. The other contribution is of unknown origin; however, it is essentially identical in all liquid crystals and it can be modeled adequately with a phenomenological mean-field interaction. A remarkable feature of this second interaction is that it causes the average orientation of the asymmetrical isotopomers, and especially of HT, to behave differently from the symmetrical species.

URL<Go to ISI>://A1997WD54500062