Hostname: page-component-84b7d79bbc-x5cpj Total loading time: 0 Render date: 2024-07-30T09:15:11.689Z Has data issue: false hasContentIssue false
  • English
  • Français

Temperature dependence of the structures of solution-grown and melt-grown samples of n-hexatetracontane

Published online by Cambridge University Press:  10 January 2013

J. Fenrych ,
E. C. Reynhardt  and
I. Basson
J. Fenrych
Affiliation:
Department of Physics, University of South Africa, P.O. Box 392, Pretoria 0003, South Africa
E. C. Reynhardt
Affiliation:
Department of Physics, University of South Africa, P.O. Box 392, Pretoria 0003, South Africa
I. Basson
Affiliation:
Department of Physics, University of South Africa, P.O. Box 392, Pretoria 0003, South Africa
Get access Rights & Permissions [Opens in a new window]

Abstract

The crystal structures of solution-grown and melt-grown polycrystalline samples of n-hexatetracontane (n-C46H94) in the temperature range 293–359 K have been investigated by X-ray powder diffraction. The solution-grown sample has an orthorhombic structure, with space group Pbc21 and cell dimensions a=4.952 Å, b=7.424 Å, and c=120.95 Å. While heating this sample a gradual transition to a monoclinic phase takes place, with onset temperature 335 K. At temperatures close to the melting point two configurations of the ab plane have been observed. Cooling a sample from the melt results in a mixture of a monoclinic and an orthorhombic structure. Rietveld refinements of the structures of solution-grown and melt-grown samples at 293 K have been performed.

Type
Research Article
Information
Powder Diffraction , Volume 12 , Issue 1 , March 1997 , pp. 49 - 52
Copyright
Copyright © Cambridge University Press 1997

Access options

Get access to the full version of this content by using one of the access options below. (Log in options will check for institutional or personal access. Content may require purchase if you do not have access.)

References

Boistelle, R., Simon, B., and Pépe, G. (1976). “Polytypic Structures of n-C 28H 58 (Octacosane) and n-C 36H 74 (Hexatriacontane),” Acta Crystallogr. Sec. B 32, 1240–1243.CrossRefGoogle Scholar
Craig, S. R., Hastie, G. P., Roberts, K. J., and Sherwood, J. N.(1994). “Investigation into structures of some normal alkanes within homologous series C 13H 28 to C 60H 122 using high-resolution synchrotron X-ray powder diffraction,” J. Mater. Chem. 4, 977–982.CrossRefGoogle Scholar
Dollase, W. A. (1986). “Correction of intensities for preferred orientation in powder diffractometry: Application of the March model,” J. Appl. Crystallogr. 19, 267–272.CrossRefGoogle Scholar
Fenrych, J., Reynhardt, E. C., and Basson, I.(1996). “Structures and molecular dynamics of solution-grown and melt-grown samples of n-heptatriacontane,” J. Phys.: Condens. Matter 8, 5301–5316.Google Scholar
Gerson, A. R., Roberts, K. J., and Sherwood, J. N. (1991). “X-ray powder diffraction studies of alkanes: Unit-cell parameters of the homologous series C 18H 38 to C 28H 58,” Acta Crystallogr. Sec. B 47, 280–284.Google Scholar
Nyburg, S. C., and Potworowski, J. A. (1973). “Prediction of units cells and atomic coordinates for the n-alkanes,” Acta Crystallogr. Sec. B 29, 347–352.CrossRefGoogle Scholar
Reynhardt, E. C., Fenrych, J., and Basson, I. (1994). “Structures and molecular dynamics of solution-grown and melt-grown samples of n-hexatriacontane,” J. Phys.: Condens. Matter. 6, 7605–7616.Google Scholar
Schneider, J.(1987). “Rietveld method runs on IBM-AT,” Acta Crystallogr. Sec. A 43, Suppl. C 295..CrossRefGoogle Scholar
Shearer, H. M., and Vand, V. (1956). “The crystal structure of the monoclinic form of n-hexatriacontane,” Acta Crystallogr. 9, 379–384.Google Scholar
Sullivan, P. K., and Weeks, J. (1970). “The intensity as a function of temperature of the low-angle x-ray diffraction maxima of the n-paraffins: Hexatriacontane, tetratetracontane, and Tetranonacontane,” J. Res. Natl. Bur. Stand. Sec. A 74, 203–214.CrossRefGoogle Scholar
Takamizawa, K., Ogawa, Y., and Oyama, O. (1982). “Thermal behavior of n-alkanes from n-C 32H 66 to n-C 80H 162, synthesized with attention paid to high purity,” Polym. J. 14, 441–456.Google Scholar
Teare, P. W. (1959). “The crystal structure of Orthorhombic Hexatriacontane C 36H 74,” Acta Crystallogr. 12, 294–300.CrossRefGoogle Scholar