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2D rotation-translation coupling with planar molecules

2D rotation-translation coupling with planar molecules A structure-factor calculation for two-dimensional rotation-translation coupling with planar molecules is presented. The starting point is a continuous description of the scattering-length-density distribution for a planar molecule that rotates around its symmetry axis. For the example of a molecule with threefold symmetry at a site with fourfold symmetry, the successive correction terms to the conventional rotational form factor are evaluated. This approach yields results equivalent to the split-molecule model. This is shown by an example of a structure refinement on Ni(ND3)6Br2 single-crystal data. http://www.deepdyve.com/assets/images/DeepDyve-Logo-lg.png Acta Crystallographica Section A: Foundations of Crystallography International Union of Crystallography

2D rotation-translation coupling with planar molecules

2D rotation-translation coupling with planar molecules


Abstract

A structure-factor calculation for two-dimensional rotation-translation coupling with planar molecules is presented. The starting point is a continuous description of the scattering-length-density distribution for a planar molecule that rotates around its symmetry axis. For the example of a molecule with threefold symmetry at a site with fourfold symmetry, the successive correction terms to the conventional rotational form factor are evaluated. This approach yields results equivalent to the split-molecule model. This is shown by an example of a structure refinement on Ni(ND3)6Br2 single-crystal data.

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Publisher
International Union of Crystallography
Copyright
Copyright (c) 1993 International Union of Crystallography
ISSN
0108-7673
eISSN
1600-5724
DOI
10.1107/S0108767393003836
Publisher site
See Article on Publisher Site

Abstract

A structure-factor calculation for two-dimensional rotation-translation coupling with planar molecules is presented. The starting point is a continuous description of the scattering-length-density distribution for a planar molecule that rotates around its symmetry axis. For the example of a molecule with threefold symmetry at a site with fourfold symmetry, the successive correction terms to the conventional rotational form factor are evaluated. This approach yields results equivalent to the split-molecule model. This is shown by an example of a structure refinement on Ni(ND3)6Br2 single-crystal data.

Journal

Acta Crystallographica Section A: Foundations of CrystallographyInternational Union of Crystallography

Published: Sep 1, 1993

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