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2016 ; 17
(13
): 2043-55
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Neutron Scattering of Aromatic and Aliphatic Liquids
#MMPMID26990367
Falkowska M
; Bowron DT
; Manyar HG
; Hardacre C
; Youngs TG
Chemphyschem
2016[Jul]; 17
(13
): 2043-55
PMID26990367
show ga
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.
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