ABOUT THE DIFFERENCE IN THE QUADRUPOLE SPLITTING OF WATER BETWEEN CATIONIC AND ANIONIC NEMATIC LYOTROPIC LIQUID CRYSTALS: 2H-NMR AND MOLECULAR DYNAMICS STUDY
Deuterium 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),...
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Sociedad Chilena de Química
2004
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oai:scielo:S0717-970720040003000032006-03-21ABOUT THE DIFFERENCE IN THE QUADRUPOLE SPLITTING OF WATER BETWEEN CATIONIC AND ANIONIC NEMATIC LYOTROPIC LIQUID CRYSTALS: 2H-NMR AND MOLECULAR DYNAMICS STUDYAhumada,HMontecinos,RMartinez,RAraya-Maturana,RWeiss-López,B 2H-NMR Discotic Nematic Lyomesophases Molecular Dynamics Deuterium 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 differenceinfo:eu-repo/semantics/openAccessSociedad Chilena de QuímicaJournal of the Chilean Chemical Society v.49 n.3 20042004-09-01text/htmlhttp://www.scielo.cl/scielo.php?script=sci_arttext&pid=S0717-97072004000300003en10.4067/S0717-97072004000300003 |
| institution |
Scielo Chile |
| collection |
Scielo Chile |
| language |
English |
| topic |
2H-NMR Discotic Nematic Lyomesophases Molecular Dynamics |
| spellingShingle |
2H-NMR Discotic Nematic Lyomesophases Molecular Dynamics Ahumada,H Montecinos,R Martinez,R Araya-Maturana,R Weiss-López,B ABOUT THE DIFFERENCE IN THE QUADRUPOLE SPLITTING OF WATER BETWEEN CATIONIC AND ANIONIC NEMATIC LYOTROPIC LIQUID CRYSTALS: 2H-NMR AND MOLECULAR DYNAMICS STUDY |
| description |
Deuterium 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 |
| author |
Ahumada,H Montecinos,R Martinez,R Araya-Maturana,R Weiss-López,B |
| author_facet |
Ahumada,H Montecinos,R Martinez,R Araya-Maturana,R Weiss-López,B |
| author_sort |
Ahumada,H |
| title |
ABOUT THE DIFFERENCE IN THE QUADRUPOLE SPLITTING OF WATER BETWEEN CATIONIC AND ANIONIC NEMATIC LYOTROPIC LIQUID CRYSTALS: 2H-NMR AND MOLECULAR DYNAMICS STUDY |
| title_short |
ABOUT THE DIFFERENCE IN THE QUADRUPOLE SPLITTING OF WATER BETWEEN CATIONIC AND ANIONIC NEMATIC LYOTROPIC LIQUID CRYSTALS: 2H-NMR AND MOLECULAR DYNAMICS STUDY |
| title_full |
ABOUT THE DIFFERENCE IN THE QUADRUPOLE SPLITTING OF WATER BETWEEN CATIONIC AND ANIONIC NEMATIC LYOTROPIC LIQUID CRYSTALS: 2H-NMR AND MOLECULAR DYNAMICS STUDY |
| title_fullStr |
ABOUT THE DIFFERENCE IN THE QUADRUPOLE SPLITTING OF WATER BETWEEN CATIONIC AND ANIONIC NEMATIC LYOTROPIC LIQUID CRYSTALS: 2H-NMR AND MOLECULAR DYNAMICS STUDY |
| title_full_unstemmed |
ABOUT THE DIFFERENCE IN THE QUADRUPOLE SPLITTING OF WATER BETWEEN CATIONIC AND ANIONIC NEMATIC LYOTROPIC LIQUID CRYSTALS: 2H-NMR AND MOLECULAR DYNAMICS STUDY |
| title_sort |
about the difference in the quadrupole splitting of water between cationic and anionic nematic lyotropic liquid crystals: 2h-nmr and molecular dynamics study |
| publisher |
Sociedad Chilena de Química |
| publishDate |
2004 |
| url |
http://www.scielo.cl/scielo.php?script=sci_arttext&pid=S0717-97072004000300003 |
| work_keys_str_mv |
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