DOI: 10.1063/1.460931. Molecular dynamics in perfluoro-<i>n</i>-eicosane. I. Solid phase behavior and crystal structures

Molecular dynamics in perfluoro-n-eicosane. I. Solid phase behavior and crystal structures

10.1063/1.460931

Crossref journal-article

AIP Publishing

The Journal of Chemical Physics (317)

Abstract

Perfluoro-n-eicosane (n-C20F42) passes through three different solid modifications, called M(T&lt;146 K), I(146&lt;T&lt;200 K), and R(T&gt;200 K). Structures of the phases M and R were characterized by x-ray scattering experiments. Crystals are built up by rectangular layers. In modification M layers are set up by arrays of right-handed and left-handed (15/7-) helices in alternate succession. The unit cell is monoclinic (a=9.65 Å, b=5.70 Å, c=28.3 Å, and β=97°; space group Pa). In modification R molecules are highly mobile. There is no ordering with regard to the helix handedness. Molecules resemble cylindrical objects and are packed in a hexagonal dense mode. Regular layer stacking results in crystals with rhombohedral symmetry (a=b=5.70 Å, c=85.00 Å, γ=120°; space group R3̄m).

Bibliography

Schwickert, H., Strobl, G., & Kimmig, M. (1991). Molecular dynamics in perfluoro-n-eicosane. I. Solid phase behavior and crystal structures. The Journal of Chemical Physics, 95(4), 2800â2806.

Authors 3

Heinz Schwickert (first)
Gert Strobl (additional)
Martin Kimmig (additional)

References 14 Referenced 64

10.1107/S0567740874004675 / Acta Crystallegr Sect. B (1974)
{'key': '2024021011364473700_r2', 'first-page': '5259', 'volume': '61', 'year': '1974', 'journal-title': 'J. Chem. Phys.'} / J. Chem. Phys. (1974)
10.1039/dc9806900019 / Faraday Discuss. (1980)
10.1126/science.214.4517.188 / Science (1981)
10.1063/1.442490 / J. Chem. Phys. (1981)
10.1063/1.442185 / J. Chem. Phys. (1981)
10.1021/j100227a032 / J. Chem. Phys. (1983)
10.1103/PhysRevLett.58.698 / Phys. Rev. Lett. (1987)
10.1063/1.455079 / J. Chem. Phys. (1988)
10.1002/9780470142899.ch2 / Adv. Chem. Phys. (1986)
10.1038/174549a0 / Nature (1954)
10.1021/ma00158a034 / Macromolecules (1986)
{'key': '2024021011364473700_r13'}
{'key': '2024021011364473700_r14'}

Dates

Type	When
Created	23 years, 1 month ago (July 26, 2002, 8:38 a.m.)
Deposited	1 year, 6 months ago (Feb. 10, 2024, 8:20 a.m.)
Indexed	11 months, 3 weeks ago (Sept. 15, 2024, 2:30 a.m.)
Issued	34 years ago (Aug. 15, 1991)
Published	34 years ago (Aug. 15, 1991)
Published Print	34 years ago (Aug. 15, 1991)

Funders 0

None

BibTeX

@article{Schwickert_1991, title={Molecular dynamics in perfluoro-n-eicosane. I. Solid phase behavior and crystal structures}, volume={95}, ISSN={1089-7690}, url={http://dx.doi.org/10.1063/1.460931}, DOI={10.1063/1.460931}, number={4}, journal={The Journal of Chemical Physics}, publisher={AIP Publishing}, author={Schwickert, Heinz and Strobl, Gert and Kimmig, Martin}, year={1991}, month=aug, pages={2800–2806} }

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