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Lecture 7. Introduction to NMR Spectroscopy: Concepts and Theory, Part 1.

Save to Library. Create Alert. Share This Paper. Citations Publications citing this paper. Holger A. At the end of each rotor period the molecular motion interferes with the formation of the rotational echo yielding broad lines. We investigate rotational motions in model compounds at the appropriate temperature range.

The numerical fit of the obtained spinning side band patterns then reveals the type as well as the timescale of the rotational "jumps". Our results reveal that for known jump geometries the linewidths encountered in the rotor-synchronized spectra are directly proportional to the corresponding jump rates, extracted from the analysis of the spinning sideband patterns. Thus, in conclusion, the measurement of rotor-synchronized spectra can be sufficient for the determination of activation energies. Rotorsynchronized acquisition can than provide distinction of the sites via chemical shift resolution and account additionally for the determination of activation energies, particularly in hydrogen bonded systems.

Schmidt-Rohr, H. Ashbrook, S. Wimperis, "Rotor-synchronized acquisition of quadrupolar satellite-transition NMR spectra: practical aspects and double-quantum filtration", Journal of Magnetic Resonance , Cutajar, S. Hoffmann, I. Mihail Mondeshki, Robert Graf in cooperation with Prof.

Solid state NMR spectroscopy in combination with DSC, optical microscopy, X-ray diffraction and AFM, was applied on mixtures of functionalized phthalocyanine Pc and perylene PTCDI derivatives to investigate the thermotropic, structural and morphological properties of the mixtures and its components.

The significant core, as well as chains, mobility even in the crystalline state at ambient conditions, as determined by the REDOR based 1HC recoupling REPT-HDOR recoupled polarization transfer heteronuclear dipolar order rotor encoding technique, pointed out the lath-shaped perylene derivative being a plastic crystalline compound core dynamics order parameter, S, presented in the form of the second Legendre polynomial, equal to 0.

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Solid state NMR study of the supramolecular order and molecular dynamics of a homologous series of octafunctioanalized phthalocyanines. The H-bonds formed in the carboxyl derivative proved to be sensitive on the rotor frictional heating and increased inner pressure under the fast MAS, which lead to decomposition and rotor crashes. The steric requirements and pronounced mobility of the branched chain of the C8,4 phthalocyanine derivative shifted the mesohase transition to significantly lower temperatures.

Secondary structure and molecular dynamics of oligo peptides and polypeptide block copolymers.

Schmidt-Rohr Group Publications

The self-assembly mechanism and the associated molecular dynamics of a series of poly-L-lysine functionalized polyphenylene dendrimer melts are studied as a function of the core size generation , functionality and polypeptide length using X-rays, solid state NMR, calorimetry and dielectric spectroscopy. A striking dependence of the polyphenylene self-assembly on the polylysine length is shown.

We show that constrained poly-L-lysines can adopt different secondary structures from their linear analogues. Solid state NMR studies further indicated a mobility gradient in going from the rigid peptide backbone to the side chains. Schematic representation of the self-assembly in the functionalized polyphenylene dendrimers with a short polypeptides N Notice in the former the absence of a well-defined secondary peptide structure and that the polyphenylene dendrimers forming the core have some degree of order as revealed from SAXS.

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Notice the absence of correlations between the cores in this case. Mondeshki, G.

Solid-state nuclear magnetic resonance

Mihov, R. Graf, H.

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Spiess, K. Papadopoulos, A. It presents an overview of new developments with numerous experimental examples and illustrations, which will appeal to readers interested in both the information content as well as the potential of solid-state NMR. The book also contains many previously unpublished details that will be appreciated by those who want to perform the experiments. The techniques described are applicable not only to the study of synthetic polymers but to numerous problems in solid-state physics, chemistry, materials science, and biophysics.

The authors present a thorough overview of theory of solids NMR with the focus on applications in polymer science. Would be one of my first choices for a graduate level textbook in solid-state NMR. Targeted at an intermediate reader familiar with the basic concepts of NMR.

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