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Neutron Scattering of Aromatic and Aliphatic Liquids
Organic solvents, such as cyclohexane, cyclohexene, methylcyclohexane, benzene and toluene, are widely used as both reagents and solvents in industrial processes. Despite the ubiquity of these liquids, the local structures that govern the chemical properties have not been studied extensively. Herein...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
John Wiley and Sons Inc.
2016
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4999024/ https://www.ncbi.nlm.nih.gov/pubmed/26990367 http://dx.doi.org/10.1002/cphc.201600149 |
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author | Falkowska, Marta Bowron, Daniel T. Manyar, Haresh G. Hardacre, Christopher Youngs, Tristan G. A. |
author_facet | Falkowska, Marta Bowron, Daniel T. Manyar, Haresh G. Hardacre, Christopher Youngs, Tristan G. A. |
author_sort | Falkowska, Marta |
collection | PubMed |
description | Organic solvents, such as cyclohexane, cyclohexene, methylcyclohexane, benzene and toluene, are widely used as both reagents and solvents in industrial processes. Despite the ubiquity of these liquids, the local structures that govern the chemical properties have not been studied extensively. Herein, we report neutron diffraction measurements on liquid cyclohexane, cyclohexene, methylcyclohexane, benzene and toluene at 298 K to obtain a detailed description of the local structure in these compounds. The radial distribution functions of the centres of the molecules, as well as the partial distribution functions for the double bond for cyclohexene and methyl group for methylcyclohexane and toluene have been calculated. Additionally, probability density functions and angular radial distribution functions were extracted to provide a full description of the local structure within the chosen liquids. Structural motifs are discussed and compared for all liquids, referring specifically to the functional group and aromaticity present in the different liquids. |
format | Online Article Text |
id | pubmed-4999024 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2016 |
publisher | John Wiley and Sons Inc. |
record_format | MEDLINE/PubMed |
spelling | pubmed-49990242016-09-13 Neutron Scattering of Aromatic and Aliphatic Liquids Falkowska, Marta Bowron, Daniel T. Manyar, Haresh G. Hardacre, Christopher Youngs, Tristan G. A. Chemphyschem Articles Organic solvents, such as cyclohexane, cyclohexene, methylcyclohexane, benzene and toluene, are widely used as both reagents and solvents in industrial processes. Despite the ubiquity of these liquids, the local structures that govern the chemical properties have not been studied extensively. Herein, we report neutron diffraction measurements on liquid cyclohexane, cyclohexene, methylcyclohexane, benzene and toluene at 298 K to obtain a detailed description of the local structure in these compounds. The radial distribution functions of the centres of the molecules, as well as the partial distribution functions for the double bond for cyclohexene and methyl group for methylcyclohexane and toluene have been calculated. Additionally, probability density functions and angular radial distribution functions were extracted to provide a full description of the local structure within the chosen liquids. Structural motifs are discussed and compared for all liquids, referring specifically to the functional group and aromaticity present in the different liquids. John Wiley and Sons Inc. 2016-04-13 2016-07-04 /pmc/articles/PMC4999024/ /pubmed/26990367 http://dx.doi.org/10.1002/cphc.201600149 Text en ©2016 The Authors. Published by Wiley-VCH Verlag GmbH & Co. KGaA. This is an open access article under the terms of the Creative Commons Attribution (http://creativecommons.org/licenses/by/4.0/) License, which permits use, distribution and reproduction in any medium, provided the original work is properly cited. |
spellingShingle | Articles Falkowska, Marta Bowron, Daniel T. Manyar, Haresh G. Hardacre, Christopher Youngs, Tristan G. A. Neutron Scattering of Aromatic and Aliphatic Liquids |
title | Neutron Scattering of Aromatic and Aliphatic Liquids |
title_full | Neutron Scattering of Aromatic and Aliphatic Liquids |
title_fullStr | Neutron Scattering of Aromatic and Aliphatic Liquids |
title_full_unstemmed | Neutron Scattering of Aromatic and Aliphatic Liquids |
title_short | Neutron Scattering of Aromatic and Aliphatic Liquids |
title_sort | neutron scattering of aromatic and aliphatic liquids |
topic | Articles |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4999024/ https://www.ncbi.nlm.nih.gov/pubmed/26990367 http://dx.doi.org/10.1002/cphc.201600149 |
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