Repozytorium

Dynamics of molecular crystals by means of 1H NMR relaxometry: dynamical heterogeneity versus homogenous motion.

Autorzy

Danuta Kruk

Małgorzata Florek-Wojciechowska

Ryszard Jakubas

Sujeet K. Chaurasia

Szczepan Brym

Rok wydania

2016

Czasopismo

ChemPhysChem

Numer woluminu

17

Strony

2329-2339

DOI

10.1002/cphc.201600151

Kolekcja

Naukowa

Język

Angielski

Typ publikacji

Artykuł

Streszczenie

(1) H NMR relaxometry was used to reveal information on the dynamical properties of the molecular crystal (PyH)5 Bi2 Br11 (PyH=C5 H6 N, pyridinium cation), chosen as an example of a solid that exhibits a complex structure and rotational-like dynamics. Experimental studies were performed over a very broad frequency range, from 4 kHz to 40 MHz (referring to the (1) H resonance frequency) versus temperature. The extensive set of data was thoroughly analyzed in terms of two motional models differing with respect to the assumed mechanism (heterogeneous versus homogenous) of the motion of the PyH cations. A Cole-Davidson distribution of the correlation times describing the assumed motional heterogeneity was tested against a concept of two correlation times characterizing the rotation-like dynamics of the PyH cation around the perpendicular axes differing by about one order of magnitude. The parameters describing the dynamics of the cation, obtained by means of both models, were compared and discussed.

Słowa kluczowe

molecular crystals, molecu lar dynam ics ·, NMR spectroscopy, relaxation, solids

Adres publiczny

http://dx.doi.org/10.1002/cphc.201600151

Strona internetowa wydawcy

onlinelibrary.wiley.com

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