Solid-State 2H NMR Study of Phase Transitions in Deuterated Crystals of 5-Methyl-9-hydroxyphenalen-1-one and 5-Bromo-9-hydroxyphenalen-1-one

The nature of the phase transitions and proton−deuteron dynamics in the crystals of 9-hydroxyphenalenone derivatives have been investigated by means of solid-state 2H NMR spectroscopy. It was found that the antiferroelectric ordering of deuterons along the hydrogen bonds in 5-methyl-9-deuterioxyphen...

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Bibliographic Details
Published in:The journal of physical chemistry. B 2003-11, Vol.107 (44), p.12315-12319
Main Authors: Mochida, Tomoyuki, Kuwahara, Daisuke, Miyajima, Seiichi, Sugawara, Tadashi
Format: Article
Language:English
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Summary:The nature of the phase transitions and proton−deuteron dynamics in the crystals of 9-hydroxyphenalenone derivatives have been investigated by means of solid-state 2H NMR spectroscopy. It was found that the antiferroelectric ordering of deuterons along the hydrogen bonds in 5-methyl-9-deuterioxyphenalenone (1-d) and 5-bromo-9-deuterioxyphenalenone (2-d) occurs below the phase transition temperatures at T C = 44 K and T I = 34 K, respectively. The microscopic origin of the incommensurate modulation in 2-d below T I = 34 K is attributable to slight rotational displacements, which are fixed at commensurate angles below the lock-in transition at T C = 22 K.
ISSN:1520-6106
1520-5207
DOI:10.1021/jp035250r