All Outputs (10)

Exploring the full range of N⋯I⋯X halogen-bonding interactions within a single compound using pressure † (2024)
Journal Article
Jones, R. H., Bull, C. L., Funnell, N. P., Knight, K. S., & Marshall, W. G. (in press). Exploring the full range of N⋯I⋯X halogen-bonding interactions within a single compound using pressure †. Chemical Communications, https://doi.org/10.1039/d4cc00847b

The response of the trimethylammonium–iodinechloride and diiodide (TMA–ICl/I2) crystal structures have been examined under high pressure using neutron powder diffraction. TMA–ICl exhibits impressive pressure-driven electronic flexibility, where the N... Read More about Exploring the full range of N⋯I⋯X halogen-bonding interactions within a single compound using pressure †.

High-pressure induced switching between halogen and hydrogen bonding regimes in 1,4-dioxane iodine monochloride † (2023)
Journal Article
Jones, R. H., Bull, C. L., Knight, K. S., & Marshall, W. G. (in press). High-pressure induced switching between halogen and hydrogen bonding regimes in 1,4-dioxane iodine monochloride †. CrystEngComm, 25(29), 4146-4156. https://doi.org/10.1039/d3ce00362k

The structure of the complex formed between 1,4-dioxane and iodine monochloride has been studied as a function of pressure using neutron powder diffraction. Initial compression was accompanied by a decrease in the O⋯I halogen bond length together wit... Read More about High-pressure induced switching between halogen and hydrogen bonding regimes in 1,4-dioxane iodine monochloride †.

The thermal expansion properties of halogen bond containing 1-4 dioxane halogen complexes. (2019)
Journal Article
Jones. (2019). The thermal expansion properties of halogen bond containing 1-4 dioxane halogen complexes. CrystEngComm, 5269-5277. https://doi.org/10.1039/C9CE00803A

Neutron powder diffraction has been used to determine accurate molecular structures and thermal expansion properties for the complexes formed between by iodine and bromine with 1{,}4 dioxane. The marked anisotropy in the magnitudes of the principal a... Read More about The thermal expansion properties of halogen bond containing 1-4 dioxane halogen complexes..

Investigation of the changes in hydrogen bonding accompanying the structural reorganization at 103 K in ammonium iodate (2019)
Journal Article
Jones. (2019). Investigation of the changes in hydrogen bonding accompanying the structural reorganization at 103 K in ammonium iodate. Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials, https://doi.org/10.1107/S2052520619000325

Neutron powder diffraction has been used to observe the changes in hydrogen bonding that occur as a function of temperature in ND4IO3 and, thus, determine the structural features that occur during the low-temperature (103 K) phase transition. It is s... Read More about Investigation of the changes in hydrogen bonding accompanying the structural reorganization at 103 K in ammonium iodate.

Investigation of the changes in hydrogen bonding accompanying the structural reorganization at 103K in Ammonium iodate (2019)
Journal Article
Jones. (2019). Investigation of the changes in hydrogen bonding accompanying the structural reorganization at 103K in Ammonium iodate. Acta crystallographica. Section B, Structural science, https://doi.org/10.1107/s2052520619000325

Neutron powder diffraction has been used to observe the changes in hydrogen bonding that occur as a function of temperature in ND4IO3, and thus determine the structural features that occur during the low temperature (103 K) phase transition. We sho... Read More about Investigation of the changes in hydrogen bonding accompanying the structural reorganization at 103K in Ammonium iodate.

Gas-liquid flow hydrogenation of nitroarenes: Efficient access to a pharmaceutically relevant pyrrolobenzo[1,4]diazepine scaffold (2018)
Journal Article
Dimitriou, E., Jones, R., Pritchard, R., Miller, G., & O'Brien, M. (2018). Gas-liquid flow hydrogenation of nitroarenes: Efficient access to a pharmaceutically relevant pyrrolobenzo[1,4]diazepine scaffold. Tetrahedron, 74(47), 6795-6803. https://doi.org/10.1016/j.tet.2018.09.025

Using a Tube-in-Tube device based on the amorphous Teflon AF-2400 fluoropolymer, a series of nitroarenes was hydrogenated to afford the corresponding aniline compounds. The system was then applied to the construction of a pyrrolobenzo[1,4]diazapene s... Read More about Gas-liquid flow hydrogenation of nitroarenes: Efficient access to a pharmaceutically relevant pyrrolobenzo[1,4]diazepine scaffold.

Negative 2D thermal expansion in the halogen bonded acetone bromine complex (2018)
Journal Article
Jones. (2018). Negative 2D thermal expansion in the halogen bonded acetone bromine complex. CrystEngComm, 3246-3250. https://doi.org/10.1039/c7ce01923h

The crystal structure of the complex formed between acetone and bromine has been determined between 14 K and 200 K. The structure exhibits negative 2D thermal expansion at low temperature and colossal thermal expansion in the perpendicular dimension.... Read More about Negative 2D thermal expansion in the halogen bonded acetone bromine complex.

Structural organization in the trimethylamine iodine monochloride complex (2017)
Journal Article
Marshall, W. G., Jones, R. H., Knight, K. S., Clews, J., Darton, R. J., Miller, W., …Pitak, M. B. (in press). Structural organization in the trimethylamine iodine monochloride complex. CrystEngComm, 19(35), 5194-5201. https://doi.org/10.1039/c7ce00869d

The structure of the complex formed between trimethylamine and iodine monochloride had been redetermined by a combination of neutron powder diffraction and X-ray single crystal diffraction techniques. The structure determined using NPD shows that the... Read More about Structural organization in the trimethylamine iodine monochloride complex.

Colossal thermal expansion and negative thermal expansion in simple halogen bonded complexes (2013)
Journal Article
Jones, R. H., Knight, K. S., Marshall, W. G., Clews, J., Darton, R. J., Pyatt, D., …Horton, P. N. (in press). Colossal thermal expansion and negative thermal expansion in simple halogen bonded complexes. CrystEngComm, 16(2), 237-243. https://doi.org/10.1039/c3ce41909f

The crystal structures of the simple monoclinic halogen-bonded complexes pyridine–ICl and pyridine–IBr have been redetermined using modern X-ray and neutron diffraction techniques. The representation quadric surfaces for the thermal expansion tensor... Read More about Colossal thermal expansion and negative thermal expansion in simple halogen bonded complexes.

The competition between halogen bonds (Br⋯O) and C–H⋯O hydrogen bonds: the structure of the acetone–bromine complex revisited (2013)
Journal Article
Jones, R. H., Knight, K. S., Marshall, W. G., Coles, S. J., Horton, P. N., & Pitak, M. B. (2013). The competition between halogen bonds (Br⋯O) and C–H⋯O hydrogen bonds: the structure of the acetone–bromine complex revisited. CrystEngComm, 15(42), 8572. https://doi.org/10.1039/c3ce41472h

A combination of single-crystal X-ray (at 110 and 200 K) and high-resolution neutron powder diffraction (110 K only) using perdeuterated samples has been used to re-determine the crystal structure of the well-known acetone–Br2 complex. The results in... Read More about The competition between halogen bonds (Br⋯O) and C–H⋯O hydrogen bonds: the structure of the acetone–bromine complex revisited.