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Comparison of the free volume sizes and shapes determined from crystallographic and PALS data

Tydda M., Jasińska B.

Nukleonika

2015

Vol. 60, No. 4, part 1

771--775

Two different classes of molecular crystals were investigated. The first group was benzenediols, which are characterized by the same chemical composition but a different organization of their crystallographic structures; all of the compounds from this group have only one kind of free volumes. The second class was represented by olanzapine, which has more complex chemical composition and two kinds of free volumes in the structure. The o-Ps lifetime values determined from positron annihilation lifetime spectroscopy (PALS) measurements agree quite well with those calculated for sizes found from crystallographic data for benzenediols (agreement within 10% of the lifetime values). For olanzapine, a good agreement is observed in the case of cuboidal free volumes, while for the other kind of void, the agreement is less satisfactory. Positronium diffusion coefficient determined from o-Ps redistribution in olanzapine agrees with these found for polymers.

PALS investigation of resorcinol under high pressure

Tydda M., Jasińska B., Pieniążek A.

Nukleonika

2013

Vol. 58, No. 1

195-198

Two kinds of measurements were conducted with resorcinol at high pressure : the first one with the use of a mechanical press and the second one with the use of a gaseous compressor. In the second case, due to some gas penetrating the material structure, the lifetime spectra obtained were difficult to analyze. The free volumes in resorcinol were influenced both by high pressure and the gas coming into the crystallographic structure.