Behavior of intermolecular interactions in α-glycine under high pressure.
J Chem Phys
; 148(4): 044507, 2018 Jan 28.
Article
em En
| MEDLINE
| ID: mdl-29390805
ABSTRACT
Pressure-response on the crystal structure of deuterated α-glycine was investigated at room temperature, using powder and single-crystal X-ray diffraction, and powder neutron diffraction measurements under high pressure. No phase change was observed up to 8.7 GPa, although anisotropy of the lattice compressibility was found. No significant changes in the compressibility and the intramolecular distance between non-deuterated α-glycine and deuterated α-glycine were observed. Neutron diffraction measurements indicated the distance of the intermolecular Dâ¯O bond along with the c-axis increased with compression up to 6.4 GPa. The distance of another Dâ¯O bond along with the a-axis decreased with increasing pressure and became the shortest intermolecular hydrogen bond above 3 GPa. In contrast, the lengths of the bifurcated N-Dâ¯O and C-Dâ¯O hydrogen bonds, which are formed between the layers of the α-glycine molecules along the b-axis, decreased significantly with increasing pressure. The decrease of the intermolecular distances resulted in the largest compressibility of the b-axis, compared to the other two axes. The Hirshfeld analysis suggested that the reduction of the void region size, rather than shrinkage of the strong N-Dâ¯O hydrogen bonds, occurred with compression.
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Coleções:
01-internacional
Base de dados:
MEDLINE
Idioma:
En
Revista:
J Chem Phys
Ano de publicação:
2018
Tipo de documento:
Article
País de afiliação:
Japão