A software package of Mathematica, aimed at the analysis of 2H NMR Zeeman (T1Z) and quadrupolar (T1Q) spin-lattice relaxation times in liquid crystals in terms of diffusional models, is presented. The models most commonly used to describe internal, overall, and collective motions in liquid-crystalline phases are considered, and dynamic parameters are obtained by means of either single point or global target approaches using simulation or fitting procedures. The use of the software as a tool for highlighting the problems encountered in this kind of analysis as well as for dealing with such problems following suitable strategies is illustrated by means of applications to experimental 2H relaxation times of three different calamitic liquid crystals.
|Autori:||Calucci L; Geppi M|
|Titolo:||CAGE: Software for a critical analysis of H-2 spin-lattice relaxation in liquid crystals|
|Anno del prodotto:||2001|
|Digital Object Identifier (DOI):||10.1021/ci000169w|
|Appare nelle tipologie:||1.1 Articolo in rivista|