dc.creatorAhumada,H
dc.creatorMontecinos,R
dc.creatorMartinez,R
dc.creatorAraya-Maturana,R
dc.creatorWeiss-López,B
dc.date2004-09-01
dc.date.accessioned2017-03-07T15:36:19Z
dc.date.available2017-03-07T15:36:19Z
dc.identifierhttp://www.scielo.cl/scielo.php?script=sci_arttext&pid=S0717-97072004000300003
dc.identifier.urihttp://repositorioslatinoamericanos.uchile.cl/handle/2250/387983
dc.descriptionDeuterium quadrupole splittings, of deuterated water, Δv, in anionic discotic nematic lyomesophases are always much larger than in cationic mesophases. To explore the possible origins of this difference, Δv and T1 relaxation times of HDO (H2O 0.2% D2O) and decanol (DeOH 14% a-d2), in solutions of cationic and anionic discotic lyotropic nematic liquid crystals, were measured using ²H-NMR. The four component mesophases were prepared based on tetradecyltrimethylammonium bromide, (TTAB/DeOH/NaBr/H2O), and cesium N-dodecanoyl-L-alaninate, (CsDAla/DeOH/KCl/H2O), amphiphiles with cationic and anionic head-groups, respectively. For a better understanding of the experimental results, 15 ns molecular dynamics (MD) trajectories of both systems were calculated. The results suggest that the large difference observed in the quadrupole splittings of the solvent can be mainly attributed to a preferential orientation of the water molecules, induced by the strong electric field generated by the electrical bilayer formed at the interface of the anionic mesophase. Restrictions to solvent reorientational dynamics or differences in the thickness of the interface do not seem to play a significant role to explain the observed difference
dc.formattext/html
dc.languageen
dc.publisherSociedad Chilena de Química
dc.sourceJournal of the Chilean Chemical Society v.49 n.3 2004
dc.subject2H-NMR
dc.subjectDiscotic Nematic Lyomesophases
dc.subjectMolecular Dynamics
dc.titleABOUT THE DIFFERENCE IN THE QUADRUPOLE SPLITTING OF WATER BETWEEN CATIONIC AND ANIONIC NEMATIC LYOTROPIC LIQUID CRYSTALS: 2H-NMR AND MOLECULAR DYNAMICS STUDY
dc.typeArtículos de revistas


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