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Oral 26 Abstract NMR relaxometry <strong>and</strong> translation diffusion in condensed matter A. Herrmann, M. Hofmann, D. Kruk * , R. Meier, E.A. Rössler Experimentalphysik II, Universität Bayreuth, 95440 Bayreuth, Germany * permanent address: University of Warmia & Mazury in Olsztyn, Faculty of Mathematics & Computer Science, Sloneczna 54, PL-10710 Olsztyn, Pol<strong>and</strong> 1 H <strong>and</strong> 19 F the relaxation processes are predominantly caused by magnetic dipole-dipole interactions. For dipolar relaxation one distinguishes intra- <strong>and</strong> intermolecular relaxation pathways. While the intramolecular contribution originates from interactions between nuclei belonging to one molecule, the intramolecular relaxation stems from interactions between nuclei belonging to different molecules or polymer segments. Thus, the intramolecular relaxation is associated with reorientational dynamics, while the intermolecular part provides information on translational dynamics. As the characteristic correlation time, trans , for the translational dynamics is at least order of magnitude longer than the rotational correlation time, rot , the intramolecular contribution to the overall relaxation dominates at low frequencies. Moreover, as rot trans the low frequency dispersion of the overall relaxation can be entirely attributed to the translational contribution. Thus, the translation diffusion coefficient for diamagnetic liquids <strong>and</strong> polymer melts can be straightforwardly determined from the theoretically predicted 1,2 , linear dependence of the spin-lattice relaxation rate on square root of the resonance frequency. The obtained diffusion coefficients agree very well with those obtained by NMR gradient diffusiometry 3 .This approach can also be applied to paramagnetic liquids (for instance containing nitroxide radicals) 4 . In this case one distinguishes D [m 2 /s] 10 -8 xylitol DL-threitol 10 -9 glycerol o-terphenyl propylene glycol 10 -10 2-ethyl-1-hexanol 3-fluoroanilin 10 -11 10 -12 10 -13 10 -14 3 4 5 1000/T [K -1 ] three regions of linearity of the relaxation rate versus square root of frequency. Moreover, in the case of sub-diffusive motion in polymer systems, the mean square displacement as a function of time can be revealed 5,6 . Diffusion coefficient D as obtained from FC 1H NMR (full symbols) <strong>and</strong> field-gradient NMR (open symbols) for several liquids versus reciprocal temperature. 3 1. Y. Ayant E. Belorizky P. Fries, J. Rosset, J. Phys. (France) 1977, 38, 325 2. E. Belorizky, P.H. Fries, J. Phys. C: Solid State Phys. 1981, 14, 521 3. D. Kruk, R. Meier, E.A. Roessler, Phys. Rev. E 2012, 85, 020201 4. D. Kruk, A. Korpała, A. Kubica, R. Meier, E. A. Rössler, J. Moscicki, J. Chem. Phys 2013 138, 024506 5. M. Kehr, N Fatkullin, R. Kimmich, J. Chem. Phys. 2007, 126, 094903 6. A. Herrmann, B. Kresse, J. Gmeiner, A.F. Privalov, D. Kruk, F. Fujara, E.A. Rössler, Macromolecules 2012, 45; 6516–6526 <strong>8th</strong> <strong>Conference</strong> on Fast Field Cycling NMR Relaxometry, Turin 23-25 May 2013
Oral 27 Abstract Transport Properties <strong>and</strong> Molecular Motion of Triglyme-Lithium Salt Mixtures – Experiments <strong>and</strong> Simulations Anne-Marie Bonsa, Andreas Appelhagen, Jochen K. Lehmann, <strong>and</strong> Ralf Ludwig 1) Institute of Chemistry, Physical Chemistry, University of Rostock, Dr.-Lorenz-Weg 1, D-18051 Rostock, Germany Salvatore Bubici, Gianni Ferrante, Rebecca Steele 2) Stelar s.r.l., Mede (PV), Italy Triglyme-lithium salt complexes show low volatility, high thermal stability, high ionic conductivity, <strong>and</strong> a wide potential window. It has been shown by Yoshida et al. that the mixtures of lithium bis(trifluoromethylsulfonyl)amide [Li][NTf 2 ] <strong>and</strong> triglyme (G3) behave like conventional room temperature ionic liquids [1,2]. In particular the equimolar triglyme-lithium complexes are presumed to be resistive against oxidation <strong>and</strong> thus thought to be promising electrolytes for lithium batteries. With a combination of experiments <strong>and</strong> molecular dynamics (MD) simulations we studied the transport properties <strong>and</strong> molecular motion of G3-lithium salt mixtures as a function of salt concentration <strong>and</strong> temperature. Self-diffusion coefficients, viscosities <strong>and</strong> ionic conductivities were measured by conventional methods. We also used fast-field-cycling NMR relaxometry to underst<strong>and</strong> the molecular motion of the different components in the electrolyte system. Relaxation times T 1 have been measured on three different nuclei: 1 H of the triglyme, 7 Li of the cation <strong>and</strong> 19 F of the anion. The dispersion profiles were recorded in the range from 10 kHz to 30 MHz by using a Spinmaster FFC2000 instrument. The relaxation rates are sensitive for the existence of equimolar triglyme-lithium complexes as a function of temperature <strong>and</strong> salt concentration. Additional molecular dynamics (MD) simulations provide insight at molecular level about the change from glyme solutions to quasi-ionic liquids for the binary mixtures. The results can be used for tuning better electrolytes for battery systems. [1] K. Yoshida, M. Nakamura, Y. Kazue, N. Tachikawa, S. Tsuzuki, S. Seki, K. Dokko, M. Watanabe, J. Am. Chem. Soc. 2011, 133, 13121-13129. [2] K. Yoshida, M. Tsuchiya, N. Tachikawa, K. Dokko, M. Watanabe, J. Phys. Chem. C, 2011, 115, 18384-18394. <strong>8th</strong> <strong>Conference</strong> on Fast Field Cycling NMR Relaxometry, Turin 23-25 May 2013
Page 2 and 3: 8th Confer
Page 4 and 5: Main sponsors The Organizing Commit
Page 6 and 7: Friday 24 May, 2013 Chair: Silvio A
Page 8 and 9: 8 th Conference on
Page 12 and 13: Oral 02 Abstract CHARACTERIZATION O
Page 14 and 15: Oral 04 Abstract Fundamental <stron
Page 16 and 17: Oral 06 Abstract TRANSIENT ACCESS T
Page 18 and 19: Oral 08 Abstract Relaxometry for so
Page 20 and 21: Oral 10 Abstract Spin-Relaxation Ef
Page 22 and 23: Oral 12 Abstract Phase-gradient coi
Page 24 and 25: Oral 14 Abstract Initial Characteri
Page 26 and 27: Oral 16 Abstract The Interplay of M
Page 28 and 29: Oral 18 Abstract Water dynamics at
Page 30 and 31: Oral 20 NMR relaxation of fluids co
Page 32 and 33: Oral 22 Abstract Theory and
Page 34 and 35: Oral 24 Abstract Using Relaxometry
Page 38 and 39: Oral 28 Abstract DYNAMICS OF P3HT I
Page 40 and 41: Oral 30 Abstract Field-cycling doub
Page 44 and 45: List of Posters POSTER 1 D.G. Gadia
Page 46 and 47: List of Posters POSTER 20 A. Korpal
Page 48 and 49: Poster 02 Abstract Multi-dynamics s
Page 50 and 51: Poster 04 Abstract Application of F
Page 52 and 53: Poster 06 Abstract Multiscale dynam
Page 54 and 55: Poster 08 Abstract Field-Cycling Ov
Page 56 and 57: Poster 10 Abstract Angular dependen
Page 58 and 59: Poster 12 Abstract A Straightforwar
Page 60 and 61: Poster 14 Abstract Fast-field cycli
Page 62 and 63: Poster 16 Abstract Rapid Field-Cycl
Page 64 and 65: Poster 18 Abstract NMR Relaxation-V
Page 66 and 67: Poster 20 Abstract 1 H relaxation i
Page 68 and 69: Poster 22 Abstract Cryogen-Free Sup
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Page 72 and 73: Poster 26 Abstract R-ELISA: A quant

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