Observation of Deuteration Effect in Co-Crystal System: Hexamethylenetetraminium 3,5-Dinitrobenzoate Hemideuterated Water

Variable-temperature single-crystal X-ray diffraction, DSC (differential scanning calorimetry), and dielectric measurements show that the co-crystal system (D-HMTA)(DNBA)(0.5D2O) (1) (HMTA = hexamethylenetetramine, H-DNBA = 3,5-dinitrobenzoic acid) easily undergoes phase transitions because the H-bo...

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Bibliographic Details
Published inCrystal growth & design Vol. 9; no. 9; pp. 3828 - 3831
Main Authors Chen, Li-Zhuang, Zhao, Hong, Ge, Jia-Zhen, Xiong, Ren-Gen, Hu, Hong-Wen
Format Journal Article
LanguageEnglish
Published Washington,DC American Chemical Society 02.09.2009
Subjects
Condensed matter: structure, mechanical and thermal properties
Exact sciences and technology
Organic compounds
Physics
Structure of solids and liquids; crystallography
Structure of specific crystalline solids
Differential scanning calorimetry
Monocrystals
Isotope effects
Cocrystal
Deuteration
XRD
Phase transitions
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Summary:Variable-temperature single-crystal X-ray diffraction, DSC (differential scanning calorimetry), and dielectric measurements show that the co-crystal system (D-HMTA)(DNBA)(0.5D2O) (1) (HMTA = hexamethylenetetramine, H-DNBA = 3,5-dinitrobenzoic acid) easily undergoes phase transitions because the H-bonds (or D-bonds) in the high-temperature phase are on the average weaker than those in the low-temperature phase; the high-temperature phase also exhibits striking isotopic effects.
ISSN:1528-7483
1528-7505
DOI:10.1021/cg900348x