Еlena
V. Boldyreva1, Т.P. Shakhtshneider, H. Ahsbahs2
1Research
and Education Center Molecular Design and Ecologically Safe Technologies (REC-008), Novosibirsk State University, Institute of Solid State Chemistry
SD RAS, 2Institute
of Catalysis SD RAS, Philipps-Universitaet
Marburg/Lahn (Germany),
ul. Kutateladze, 18, Novosibirsk, 128, 630128 Russia,
e-mail: boldyrev@nsu.ru
High-pressure studies of crystal structures
provide valuable information on the intermolecular interactions in crystals. It is helpful to study not only
pressure-induced phase transitions, but also the anisotropy of structural
strain within the range of stability of the same polymorph [1]. p-Benzoquinone provides an example of a crystal with weak intermolecular
interactions CH
O hydrogen
bonds, C=O
C=O and p-p interactions. These weak interactions are attracting
presently much attention, in particular, because of their importance for
bioorganic and medicinal chemistry.
The effect of increasing pressure up to 2.8 GPa on the cell parameters and volume of benzoquinone (s.g. P21/a) was studied by X-ray powder diffraction. No polymorphic transformations were detected, what makes the system different from its tetra-fluor-substituted derivative, fluoranil [2]. The anisotropy of structural strain was correlated with directions of CH O hydrogen bonds. The experimental results are discussed in relation to the theoretical calculations of p-benzoquinone and its tetrafluorosubstitute (p-fluoranil) done in [3,4].
REFERENCES
1. E.V. Boldyreva // J. Mol. Struct.- 2003.- v. 647, issues 1-3.- pp
159 179.
2. A.
Ikuta, Y. Suzuki, Y. Nibu, H. Shimada, R. Shimada // Bull. Chem. Soc. Jpn.-
1999.- V. 72.- p.963.
3. A.
Masunov, PhD Thesis City Univ. of New York, 2000.
4. F.
Pichierri, A. Sekine, T. Ebisuzaki.- Chem. Phys.- 2001.- v. 264.- pp. 9-19.
The study was supported by grants from DLR (RUS-131-97), from RFBR (02-03-33358), from BRHE (REC-008), and from the Ministry of Education RF Integration (Ч0069).