Title NMR cross-polarization dynamics in structural manifolds of functional materials /
Translation of Title BMR kryžminės poliarizacijos dinamika funkcinių medžiagų struktūrinėje įvairovėje.
Authors Dagys, Laurynas
Full Text Download
Pages 218
Keywords [eng] NMR ; cross-polarization ; modelling ; functional materials
Abstract [eng] Material research can be considered as one of the most important aspects of the functional material development. The rapid advance in modern synthesis and chemical engineering demands constant improvement of various characterization techniques and hence the significant part of these methods is crystallography. Namely, NMR spectroscopy has recently proven to be a capable tool to answer many questions in crystallography. Generally, structural analysis in NMR is based on dipolar coupling between two spins which is inversely proportional to distance between them. Cross-polarization (CP) is a technique amongst the frontier experiments that employs this strong interaction. Despite typical CP use for signal enhancement, the CP time kinetics contain complex information of the structure. In the present work, the CP kinetics has been analysed in the large structural manifold of functional materials. In addition, the presented conclusions relate analytical models of cross-polarization and physical parameters regarding complex dynamics. It was shown that spatial distribution of light elements as well as structural order and dynamics within can be probed and revealed employing the advanced CP models refined in the work. Findings of the dissertation could be an answer to obstacles met employing diffraction-based crystallographic tools and furthermore can provide complementary information corresponding to the other properties in the functional materials.
Dissertation Institution Vilniaus universitetas.
Type Doctoral thesis
Language English
Publication date 2019