Elucidation of Structure and Dynamics in Solid Octafluoronaphthalene from Combined NMR, Diffraction, And Molecular Dynamics Studies

Ilott, AJ; Palucha, S; Batsanov, AS; Wilson, MR; Hodgkinson, P

doi:10.1021/ja910526z

All Outputs (3)

Computation and NMR crystallography of terbutaline sulfate (2010)
Journal Article
Harris, R. K., Hodgkinson, P., Zorin, V., Dumez, J., Elena-Herrmann, B., Emsley, L., …Stein, R. S. (2010). Computation and NMR crystallography of terbutaline sulfate. Magnetic Resonance in Chemistry, 48(1), S103-S112. https://doi.org/10.1002/mrc.2636

Structures and Phase Transitions in (MoO2)2P2O7 (2010)
Journal Article
Lister, S., Soleilhavoup, A., Withers, R., Hodgkinson, P., & Evans, J. (2010). Structures and Phase Transitions in (MoO2)2P2O7. Inorganic Chemistry, 49(5), 2290-2301. https://doi.org/10.1021/ic902166j

We report structural investigations into (MoO2)2P2O7 using a combination of X-ray, neutron and electron diffraction, and solid-state NMR supported by first principles quantum chemical calculations. These reveal a series of phase transitions on coolin... Read More about Structures and Phase Transitions in (MoO2)2P2O7.

Elucidation of Structure and Dynamics in Solid Octafluoronaphthalene from Combined NMR, Diffraction, And Molecular Dynamics Studies (2010)
Journal Article
Ilott, A., Palucha, S., Batsanov, A., Wilson, M., & Hodgkinson, P. (2010). Elucidation of Structure and Dynamics in Solid Octafluoronaphthalene from Combined NMR, Diffraction, And Molecular Dynamics Studies. Journal of the American Chemical Society, 132(14), 5179-5185. https://doi.org/10.1021/ja910526z

X-ray diffraction (XRD), molecular dynamics simulations (MD), and 19F NMR have been used to investigate structure and dynamics in solid octafluoronaphthalene, C10F8. Two distinct processes are observed via measurements of 19F relaxation times as a fu... Read More about Elucidation of Structure and Dynamics in Solid Octafluoronaphthalene from Combined NMR, Diffraction, And Molecular Dynamics Studies.