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

• Autorzy: Tydda M. , Jasińska B.

Identyfikatory

DOI

10.1515/nuka-2015-0139

• Konferencja: Polish Seminar on Positron Annihilation (42 nd ; 29.06-01.07.2016 ; Lublin, Poland)
• Języki publikacji: EN

Abstrakty

EN

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.

Słowa kluczowe

EN

benzenediols; free volume; molecular crystals olanzapine; positron annihilation; positronium; positronium diffusion coefficient

• Wydawca: Institute of Nuclear Chemistry and Technology
• Czasopismo: Nukleonika
• Rocznik: 2015
• Tom: Vol. 60, No. 4, part 1
• Strony: 771--775
• Opis fizyczny: Bibliogr. 20 poz., rys.

Twórcy

autor

Tydda M.

• Department of Nuclear Methods, Institute of Physics, Maria Curie-Sklodowska University, 1 M. Curie-Skłodowskiej Sq., 20-031 Lublin, Poland

autor

Jasińska B.

• Department of Nuclear Methods, Institute of Physics, Maria Curie-Sklodowska University, 1 M. Curie-Skłodowskiej Sq., 20-031 Lublin, Poland

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