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Imidazole Hidden PolarPhase.

Authors :
Paliwoda, Damian
Dziubek, Kamil F.
Katrusiak, Andrzej
Source :
Crystal Growth & Design. Sep2012, Vol. 12 Issue 9, p4302-4305. 4p.
Publication Year :
2012

Abstract

Transformations of NH···N hydrogen bondscan beemployed in new classes of electronic materials. Imidazole, a prototypicNH···N bonded crystal, remains centrosymmetric whencompressed to 2.7 GPa. However, its recrystallization at 1.2 GPa leadsto a new polar phase which in turn can be decompressed to 0.5 GPaat least. This transformation and calculated potential-energy functionof the H-atom correlate with the transforming dimensions of the hydrogenbond and reveal high polarity of nonionic NH···N bondedcompounds. [ABSTRACT FROM AUTHOR]

Details

Language :
English
ISSN :
15287483
Volume :
12
Issue :
9
Database :
Academic Search Index
Journal :
Crystal Growth & Design
Publication Type :
Academic Journal
Accession number :
79809178
Full Text :
https://doi.org/10.1021/cg300852t