Dedicated to Professor Helmut Dorfel on the occasion of his 60th birthdayUntil a few years ago, solid-state nuclear resonance yielded spectra containing broad lines only. Meanwhile, CP/MAS-NMR spectroscopy has provided a method which gives narrow nuclear resonance lines from a solid-state specimen as well. Using this technique, it is now possible to produce spectra of "rare" nuclei (I3C, 29Si, I5N etc.) which are resolved in terms of chemical structure. The analytical capabilities of NMR spectroscopy can be applied to the solid state: it may be that it is necessary to identify compounds in the solid state because, for example, a solvent would alter the coordination sphere, or that it is desired to monitor chemical reactions in the solid state, for example the baking of an enamel. Where a substance in the solid state is concerned, high-resolution I3C-NMR spectroscopy provides not only information about the chemical structure, but also about the solid state itself. To mention just a few examples, information on the conformation, crystal structure and molecular dynamics, as well as molecular miscibility is given. This opens up a broad spectrum of applications, from a statement concerning the crystal modification of an active substance in ready-to-use pharmaceutical preparations, e.g. tablets, to the question of whether two polymers are miscible with one another at a molecular level.

A detailed study of the structure and the dynamics of the polystyrene-(PS-) ethylbenzene (EB) polymer-penetrant system is presented. The work combines dual scale (atomistic/coarse grained) simulations and experiments. United atom atomistic NPT molecular dynamics simulations as well as coarse-grained (CG) molecular dynamics simulations have been executed and the ability of the CG simulations to predict the dynamic properties of the polymer/penetrant system is examined. The results are directly compared to pulse-field gradient nuclear magnetic resonance measurements. The coarse-grained simulations, which are much faster than atomistic ones, are capable of describing the diffusion of EB molecules. This opens up the way to study polymer/penetrant systems difficult to reach by experiment but of technological importance.

The reaction of methylaluminoxane (MAO) with 1,6‐hexanediol or 1,10‐decanediol leads to white powdery materials which were studied by 13C and 27Al MAS NMR, scanning electron microscopy (SEM), and whose surface area and porosity was determined according to the BET method. The hydrolysis of trimethylaluminum with hydrogel was carried out and the product was investigated by SEM. © 1993 John Wiley & Sons, Inc.

The series of thiophene oligomers from bithienyl to a-sexithienyl has been synthesized according to the methods reported in the literature and some variation introduced by us. UV-visible, FT-IR, 13C-nmr and mass spectra of thiophene oligomers have been recorded and also cyclic voltammograms. Results are compared with data available in literature and are discussed in terms of conjugation length and coplanarity.

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