Molecular dynamics in triglycine sulphate by cold neutron spectroscopy

V. Tripadus; A. Radulescu; J. Pieper; A. Buchsteiner; A. Podlesnyak; S. Janssen; A. Serban

doi:10.1016/j.chemphys.2005.08.042

Molecular dynamics in triglycine sulphate by cold neutron spectroscopy

V. Tripadus, A. Radulescu, J. Pieper, A. Buchsteiner, A. Podlesnyak, S. Janssen, A. Serban

Research output: Contribution to journal › Article › peer-review

8 Scopus citations

Abstract

Molecular dynamics of the ferroelectric compound triglycine sulphate (TGS) was studied by quasi-elastic neutron scattering. From among the three glycine molecules forming the unit cell the non-planar GI molecule is responsible for the polarisation which occurs in crystal and for the order-disorder ferroelectric phase transition at T_c = 49°C. This molecule also shows a complex dynamics much faster than that performed by the other glycine molecules. The key group of this molecule is the amino group that, on one hand, seems to be responsible for the phase transition and, on the other hand, performs motional processes spread on a wide time scale. These motions have been detailed studied by means of different energy resolution windows within the quasi-elastic scattering range. We found that the dynamics of this group develops in a restricted spatial volume and consists in a faster rotational diffusion around the molecular axis of the group and a slower flipping dynamics between two symmetrical positions on both sides of a mirror plane containing the molecular axis of GI molecule.

Original language	English
Pages (from-to)	323-330
Number of pages	8
Journal	Chemical Physics
Volume	322
Issue number	3
DOIs	https://doi.org/10.1016/j.chemphys.2005.08.042
State	Published - Mar 20 2006
Externally published	Yes

Funding

We thank Prof. Dr. H. Alexandru and Dr. C. Berbecaru from Bucharest University – Faculty of Physics for fruitful discussions and for providing us the TGS sample. This work is based on experiments performed at the BERII reactor, Berlin Neutron Scattering Center, Germany and Swiss Spallation Neutron Source SINQ, Paul Scherrer Institute, Villigen, Switzerland. One of us (A.R.) gratefully acknowledges financial support from the German Federal Ministry of Education and Research (project 03HEE8SB) and support from BENSC.

Funders	Funder number
BENSC
Bundesministerium für Bildung und Forschung	03HEE8SB

Keywords

Dynamics in restricted volumes
Ferroelectrics
Neutron scattering

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10.1016/j.chemphys.2005.08.042

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title = "Molecular dynamics in triglycine sulphate by cold neutron spectroscopy",

abstract = "Molecular dynamics of the ferroelectric compound triglycine sulphate (TGS) was studied by quasi-elastic neutron scattering. From among the three glycine molecules forming the unit cell the non-planar GI molecule is responsible for the polarisation which occurs in crystal and for the order-disorder ferroelectric phase transition at Tc = 49°C. This molecule also shows a complex dynamics much faster than that performed by the other glycine molecules. The key group of this molecule is the amino group that, on one hand, seems to be responsible for the phase transition and, on the other hand, performs motional processes spread on a wide time scale. These motions have been detailed studied by means of different energy resolution windows within the quasi-elastic scattering range. We found that the dynamics of this group develops in a restricted spatial volume and consists in a faster rotational diffusion around the molecular axis of the group and a slower flipping dynamics between two symmetrical positions on both sides of a mirror plane containing the molecular axis of GI molecule.",

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AU - Tripadus, V.

AU - Radulescu, A.

AU - Pieper, J.

AU - Buchsteiner, A.

AU - Podlesnyak, A.

AU - Janssen, S.

AU - Serban, A.

PY - 2006/3/20

Y1 - 2006/3/20

N2 - Molecular dynamics of the ferroelectric compound triglycine sulphate (TGS) was studied by quasi-elastic neutron scattering. From among the three glycine molecules forming the unit cell the non-planar GI molecule is responsible for the polarisation which occurs in crystal and for the order-disorder ferroelectric phase transition at Tc = 49°C. This molecule also shows a complex dynamics much faster than that performed by the other glycine molecules. The key group of this molecule is the amino group that, on one hand, seems to be responsible for the phase transition and, on the other hand, performs motional processes spread on a wide time scale. These motions have been detailed studied by means of different energy resolution windows within the quasi-elastic scattering range. We found that the dynamics of this group develops in a restricted spatial volume and consists in a faster rotational diffusion around the molecular axis of the group and a slower flipping dynamics between two symmetrical positions on both sides of a mirror plane containing the molecular axis of GI molecule.

AB - Molecular dynamics of the ferroelectric compound triglycine sulphate (TGS) was studied by quasi-elastic neutron scattering. From among the three glycine molecules forming the unit cell the non-planar GI molecule is responsible for the polarisation which occurs in crystal and for the order-disorder ferroelectric phase transition at Tc = 49°C. This molecule also shows a complex dynamics much faster than that performed by the other glycine molecules. The key group of this molecule is the amino group that, on one hand, seems to be responsible for the phase transition and, on the other hand, performs motional processes spread on a wide time scale. These motions have been detailed studied by means of different energy resolution windows within the quasi-elastic scattering range. We found that the dynamics of this group develops in a restricted spatial volume and consists in a faster rotational diffusion around the molecular axis of the group and a slower flipping dynamics between two symmetrical positions on both sides of a mirror plane containing the molecular axis of GI molecule.

KW - Dynamics in restricted volumes

KW - Ferroelectrics

KW - Neutron scattering

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JO - Chemical Physics

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Molecular dynamics in triglycine sulphate by cold neutron spectroscopy

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Keywords

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