Dynamics of water molecules in a templated aluminophosphate: Molecular dynamics simulation of inelastic neutron scattering spectra

A. J. Ramirez-Cuesta; P. C.H. Mitchell; A. P. Wilkinson; S. F. Parker; P. Mark Rodger

doi:10.1039/a807575a

Dynamics of water molecules in a templated aluminophosphate: Molecular dynamics simulation of inelastic neutron scattering spectra

A. J. Ramirez-Cuesta, P. C.H. Mitchell, A. P. Wilkinson, S. F. Parker, P. Mark Rodger

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

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Abstract

In the templated aluminophosphate, DL-[Co(en)₃]Al₃(PO₄)₄·3H₂O, the water molecules mediate the template-layer interaction: through a molecular dynamics simulation of the water molecule dynamics we have assigned the librational modes of water in the inelastic neutron scattering spectrum to motions of water molecules in three different environments.

Original language	English
Pages (from-to)	2653-2654
Number of pages	2
Journal	Chemical Communications
Issue number	23
DOIs	https://doi.org/10.1039/a807575a
State	Published - Dec 7 1998
Externally published	Yes

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title = "Dynamics of water molecules in a templated aluminophosphate: Molecular dynamics simulation of inelastic neutron scattering spectra",

abstract = "In the templated aluminophosphate, DL-[Co(en)3]Al3(PO4)4·3H2O, the water molecules mediate the template-layer interaction: through a molecular dynamics simulation of the water molecule dynamics we have assigned the librational modes of water in the inelastic neutron scattering spectrum to motions of water molecules in three different environments.",

author = "Ramirez-Cuesta, {A. J.} and Mitchell, {P. C.H.} and Wilkinson, {A. P.} and Parker, {S. F.} and {Mark Rodger}, P.",

year = "1998",

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T2 - Molecular dynamics simulation of inelastic neutron scattering spectra

AU - Ramirez-Cuesta, A. J.

AU - Mitchell, P. C.H.

AU - Wilkinson, A. P.

AU - Parker, S. F.

AU - Mark Rodger, P.

PY - 1998/12/7

Y1 - 1998/12/7

N2 - In the templated aluminophosphate, DL-[Co(en)3]Al3(PO4)4·3H2O, the water molecules mediate the template-layer interaction: through a molecular dynamics simulation of the water molecule dynamics we have assigned the librational modes of water in the inelastic neutron scattering spectrum to motions of water molecules in three different environments.

AB - In the templated aluminophosphate, DL-[Co(en)3]Al3(PO4)4·3H2O, the water molecules mediate the template-layer interaction: through a molecular dynamics simulation of the water molecule dynamics we have assigned the librational modes of water in the inelastic neutron scattering spectrum to motions of water molecules in three different environments.

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Dynamics of water molecules in a templated aluminophosphate: Molecular dynamics simulation of inelastic neutron scattering spectra

Abstract

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