Research Repository

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Interactions between a water molecule and C 60 in the endohedral fullerene H2O@C60 (2019)
Journal Article
Rashed, E., & Dunn, J. L. (2019). Interactions between a water molecule and C 60 in the endohedral fullerene H2O@C60. Physical Chemistry Chemical Physics, 21(6), 3347-3359. doi:10.1039/C8CP04390F

A water molecule encapsulated inside a C 60 fullerene cage behaves almost like an asymmetric top rotor, as would be expected of an isolated water molecule. However, inelastic neutron scattering (INS) experiments show evidence of interactions between... Read More

Simulation of the Raman spectroscopy of multi-layered carbon nanomaterials (2018)
Journal Article
Tailor, P. M., Wheatley, R. J., & Besley, N. A. (2018). Simulation of the Raman spectroscopy of multi-layered carbon nanomaterials. Physical Chemistry Chemical Physics, 20(44), 28001-28010 . doi:10.1039/c8cp05908j

Multi-layered carbon nanomaterials can have an important role in modern nanotechnology. Raman spectroscopy is a widely used analytical technique that is used to characterise the structure of these materials. In this work, an approach based upon an em... Read More

Photoionization of the iodine 3d, 4s, and 4p orbitals in methyl iodide (2018)
Journal Article
Forbes, R., De Fanis, A., Bomme, C., Rolles, D., Pratt, S. T., Powis, I., …Holland, D. M. (2018). Photoionization of the iodine 3d, 4s, and 4p orbitals in methyl iodide. Journal of Chemical Physics, 149(14), doi:10.1063/1.5035496. ISSN 0021-9606

Ionization of the I 3d, 4s, and 4p orbitals in methyl iodide (CH3I) has been studied by using synchrotron radiation to measure the total ion yield and by recording photoelectron spectra with linearly polarized radiation in two polarization orientatio... Read More

Ion - reagent interactions contributing to ionic liquid solvent effects on a condensation reaction (2018)
Journal Article
Keaveney, S. T., Harper, J. B., & Croft, A. K. (2018). Ion - reagent interactions contributing to ionic liquid solvent effects on a condensation reaction. ChemPhysChem, doi:10.1002/cphc.201800695

Molecular dynamics simulations of solutions of hexan-1-amine or 4-methoxybenzaldehyde in acetonitrile, an ionic liquid/ acetonitrile mixture (XIL = 0.2), and a number of different (neat) ionic liquids were performed, to further understand the solvent... Read More

Reactivity of the O2+·(H2O)n and NO+·(H2O)n cluster ions in the D-region of the ionosphere (2018)
Journal Article
Sharma, S., Wright, T. G., & Besley, N. A. (2018). Reactivity of the O2+·(H2O)n and NO+·(H2O)n cluster ions in the D-region of the ionosphere. Physical Chemistry Chemical Physics, 20(40), 25931-25938 . doi:10.1039/c8cp05681a

The protonated water clusters present in the D-region of the ionosphere have been postulated to be formed from cluster ions such as O2+·(H2O)n and NO+·(H2O)n, although the detailed mechanism of the underlying reactions is not understood. Second order... Read More

Thin film structural analysis using variable-period x-ray standing waves (2018)
Journal Article
Gibson, J. S., Syres, K. L., Buckley, M., Lee, T., Thakur, P. K., & Jones, R. G. (2018). Thin film structural analysis using variable-period x-ray standing waves. Physical Review B, 98(16), doi:10.1103/physrevb.98.165402. ISSN 2469-9950

Variable period X-ray standing wave (VPXSW) studies have been carried out using 3 keV X-rays and photoelectron detection. Two model surfaces have been used, a native SiO2 layer (20 Å thick) on bulk silicon, and a purpose built multilayer surface com... Read More

Catalytic conversion of methanol to larger organic molecules over crystalline forsterite: laboratory study and astrophysical implications (2018)
Journal Article
Li, Q., Dai, W., Liu, B., Sarre, P., Xie, M., & Cheung, A. (2018). Catalytic conversion of methanol to larger organic molecules over crystalline forsterite: laboratory study and astrophysical implications. Molecular astrophysics, 13, (22-29). doi:10.1016/j.molap.2018.09.002

Laboratory catalytic reactions of methanol over heated crystalline silicates (forsterite) lead to the formation of gas-phase olefinic and polycyclic aromatic hydrocarbon (PAH) molecules, and are of potential importance in astrophysical environments i... Read More