X-ray Diffraction Studies of Liquid Methylcyclohexane C_6H_{11}-CH_3 Structure at 293 K

• Authors: H. Drozdowski , K. Nowakowski
• Languages of publication: EN

Abstracts

EN

The structure of methylcyclohexane C_6H_{11}-CH_3 at 293 K was investigated using the X-ray diffraction method. An angular distribution of X-ray radiation scattered in liquid methylcyclohexane was measured. The observable range of scattering angles was 6°≤2Θ≤120°. Monochromatic radiation Mo K_αenabled determination of the scattered intensity between S_{min}=0.92 Å^{-1} and S_{max}=15.313 Å^{-1}. The differential radial distribution function of electron density was calculated. The mean structural parameters of liquid methylcyclohexane (inter- and intramolecular distances, radii of coordination spheres, and packing coefficient) were determined and discussed. The most probable binary radial correlation of molecules in liquid methylcyclohexane was proposed. The approach proposed in this paper gives a good description of intermolecular interactions in liquids and is a useful X-ray method for their analysis. The paper presents the structure and molecular correlations in liquid methylcyclohexane determined for the first time by the X-ray diffraction method. The study of methylcyclohexane is a continuation of our studies of cyclohexane derivatives cyclohexylamine and 2-methylcyclohexane. The aim of the study was to establish a relation between the cis and trans isomers and the conformation of the cyclohexane derivatives in the liquid phase.

Keywords

EN

61.25.Em

Discipline

• 61.25.Em: Molecular liquids

• Publisher: Institute of Physics, Polish Academy of Sciences
• Journal: Acta Physica Polonica A
• Year: 2008
• Volume: 114
• Issue: 2
• Pages: 383-389

Dates

published

2008-08

received

2007-09-24

Contributors

author

H. Drozdowski

• Adam Mickiewicz University, Faculty of Physics, Optics Laboratory, Umultowska 85, PL-61-614 Poznań, Poland

author

K. Nowakowski

• Adam Mickiewicz University, Faculty of Physics, Optics Laboratory, Umultowska 85, PL-61-614 Poznań, Poland

References

• 1. C.D. Nenitescu, Chimie Organică, Editura tehnică, Bucuresti 1998
• 2. Y. Waseda, The Structure of Non-Crystalline Materials, Mc Graw-Hill, New York 1979
• 3. A.F. Skryshevskii, Structural Analysis of Liquids and Amorphous Bodies - Strukturnyy Analiz Zhidkostey i Amorfnykh Tel, Izd. Vysshaya Shkola, Moskva 1980 (in Russian)
• 4. Z. Bochyński, H. Drozdowski, Acta Phys. Slov. 49, 409 (1999)
• 5. R. Kahn, R. Fourme, D. Ande, M. Renaud, Acta Crystallogr. B 29, 131 (1973)
• 6. D.W. Aksnes, L. Kimtys, P. Klaeboe, V. Sablinskas, E.W. Hansen, J. Mol. Struct. 350, 1 (1995)
• 7. F. Kohler, The Liquid State, Verlag Chemie, Weinheim/Bergstr. 1972
• 8. D.M. North, C.N.J. Wagner, J. Appl. Crystallogr. 2, 149 (1969)
• 9. H. Drozdowski, Acta Phys. Pol. A 104, 441 (2003)
• 10. H. Drozdowski, J. Mol. Struct. 783, 204 (2006)
• 11. B.E. Warren, R.L. Mozzi, J. Appl. Crystallogr. 3, 59 (1970)
• 12. H. Ohno, K. Igarashi, N. Umesaki, K. Furukawa, X-Ray Diffraction Analysis of Ionic Liquids, Trans Tech Publications Ltd, Switzerland 1994
• 13. P. Schwager, K. Bartels, R. Hubner, Acta Crystallogr. A 29, 291 (1973)
• 14. Y. Waseda, S. Tamaki, Z. Phys. B 23, 315 (1976)
• 15. N. Norman, Acta Crystallogr. 10, 370 (1957)
• 16. A.W. Renninger, R. Kaplow, Computer Programs for Radial Distribution Analysis of X-Rays, Massachusetts Institute of Technology, Cambridge (MA) 1987
• 17. H. Drozdowski, X-ray Diffraction Study of Structure and Molecular Correlations in Liquid Naphthalene Derivatives, Scientific Publishers Adam Mickiewicz University, Poznań2001 (Polish text with a summary in English)
• 18. J.M. Haile, Molecular Dynamics Simulations. Elementary Methods, Wiley, New York 1992
• 19. M.P. Allen, D.J. Tildesley, Computer Simulation of Liquids, Clarendon Press, Oxford 1999

Identifiers

DOI

10.12693/APhysPolA.114.383