The University of Southampton
University of Southampton Institutional Repository

Characterisation of temperature-dependent phase transitions in 2,2-trimethylenedioxy- 4,4,6,6-tetrachlorocyclotriphosphazene, N3P3Cl4[O(CH2)3O]

Characterisation of temperature-dependent phase transitions in 2,2-trimethylenedioxy- 4,4,6,6-tetrachlorocyclotriphosphazene, N3P3Cl4[O(CH2)3O]
Characterisation of temperature-dependent phase transitions in 2,2-trimethylenedioxy- 4,4,6,6-tetrachlorocyclotriphosphazene, N3P3Cl4[O(CH2)3O]
Background: The crystal structure of 2,2-trimethylenedioxy-4,4,6,6-tetrachlorocyclo triphosphazene has been determined at 120, 274 and 293 K. The result at 293 K confirms the room temperature Cmc21 structure, but at the lower temperatures the space group is Pna21. Nevertheless the basic structure remains the same, with only small displacements of the atoms, amounting to an average of 25 pm between 120 and 293 K.

Results: X-ray diffraction and DSC results indicate that the phase transition takes place in two steps between 274 –293 K and provides an understanding of previous NQR results. In the intermediate temperature range the molecules are displaced from their room temperature positions in such a way as to give an average structure with Cmc21 symmetry.

Conclusion: The overall phase transition is consistent with the occurrence of a soft lattice mode at room temperature in which a large displacement of the molecule in the x-direction is coupled with a flexing motion about an axis defined by the nitrogen atoms in the N1 and N3 positions.
Coles, Simon J.
3116f58b-c30c-48cf-bdd5-397d1c1fecf8
Davies, David B.
675b90e6-0c3c-468b-9996-326220517cc6
Hursthouse, Michael B.
57a2ddf9-b1b3-4f38-bfe9-ef2f526388da
Huth, Susanne L.
b1cb7019-3459-4842-9d38-6db10f67384d
Kilic, Adem
1bf0a2d7-b8c6-4740-bd84-89b8db4c5769
Light, Mark E.
cf57314e-6856-491b-a8d2-2dffc452e161
Odlyha, Marianne
0f34658f-5ef1-4264-94ff-525a56774924
Rutherford, John S.
7eb1a1d5-5cad-4a60-a6ba-4fae4f875355
Shaw, Robert A.
a9ecde60-6fe9-4b5d-86e3-77cd5dcfaab8
Uslu, Aylin
95af2437-3473-4022-8070-ad7d36524a87
Coles, Simon J.
3116f58b-c30c-48cf-bdd5-397d1c1fecf8
Davies, David B.
675b90e6-0c3c-468b-9996-326220517cc6
Hursthouse, Michael B.
57a2ddf9-b1b3-4f38-bfe9-ef2f526388da
Huth, Susanne L.
b1cb7019-3459-4842-9d38-6db10f67384d
Kilic, Adem
1bf0a2d7-b8c6-4740-bd84-89b8db4c5769
Light, Mark E.
cf57314e-6856-491b-a8d2-2dffc452e161
Odlyha, Marianne
0f34658f-5ef1-4264-94ff-525a56774924
Rutherford, John S.
7eb1a1d5-5cad-4a60-a6ba-4fae4f875355
Shaw, Robert A.
a9ecde60-6fe9-4b5d-86e3-77cd5dcfaab8
Uslu, Aylin
95af2437-3473-4022-8070-ad7d36524a87

Coles, Simon J., Davies, David B., Hursthouse, Michael B., Huth, Susanne L., Kilic, Adem, Light, Mark E., Odlyha, Marianne, Rutherford, John S., Shaw, Robert A. and Uslu, Aylin (2007) Characterisation of temperature-dependent phase transitions in 2,2-trimethylenedioxy- 4,4,6,6-tetrachlorocyclotriphosphazene, N3P3Cl4[O(CH2)3O]. Chemistry Central Journal, 1. (doi:10.1186/1752-153X-1-20).

Record type: Article

Abstract

Background: The crystal structure of 2,2-trimethylenedioxy-4,4,6,6-tetrachlorocyclo triphosphazene has been determined at 120, 274 and 293 K. The result at 293 K confirms the room temperature Cmc21 structure, but at the lower temperatures the space group is Pna21. Nevertheless the basic structure remains the same, with only small displacements of the atoms, amounting to an average of 25 pm between 120 and 293 K.

Results: X-ray diffraction and DSC results indicate that the phase transition takes place in two steps between 274 –293 K and provides an understanding of previous NQR results. In the intermediate temperature range the molecules are displaced from their room temperature positions in such a way as to give an average structure with Cmc21 symmetry.

Conclusion: The overall phase transition is consistent with the occurrence of a soft lattice mode at room temperature in which a large displacement of the molecule in the x-direction is coupled with a flexing motion about an axis defined by the nitrogen atoms in the N1 and N3 positions.

Full text not available from this repository.

More information

Published date: 18 July 2007

Identifiers

Local EPrints ID: 150699
URI: https://eprints.soton.ac.uk/id/eprint/150699
PURE UUID: b20bbef9-4857-4f5c-8847-a46303700d71
ORCID for Simon J. Coles: ORCID iD orcid.org/0000-0001-8414-9272
ORCID for Mark E. Light: ORCID iD orcid.org/0000-0002-0585-0843

Catalogue record

Date deposited: 10 Jun 2010 10:44
Last modified: 17 Jul 2019 01:05

Export record

Altmetrics

Contributors

Author: Simon J. Coles ORCID iD
Author: David B. Davies
Author: Susanne L. Huth
Author: Adem Kilic
Author: Mark E. Light ORCID iD
Author: Marianne Odlyha
Author: John S. Rutherford
Author: Robert A. Shaw
Author: Aylin Uslu

University divisions

Download statistics

Downloads from ePrints over the past year. Other digital versions may also be available to download e.g. from the publisher's website.

View more statistics

Atom RSS 1.0 RSS 2.0

Contact ePrints Soton: eprints@soton.ac.uk

ePrints Soton supports OAI 2.0 with a base URL of https://eprints.soton.ac.uk/cgi/oai2

This repository has been built using EPrints software, developed at the University of Southampton, but available to everyone to use.

We use cookies to ensure that we give you the best experience on our website. If you continue without changing your settings, we will assume that you are happy to receive cookies on the University of Southampton website.

×