Effects of compression on the halogen bonding of iodic acid – a neutron diffraction study

Richard Jones; Craig L. Bull; William G. Marshall; Colin R. Pulham; David R. Allan

doi:10.1080/08957959.2024.2428201

Effects of compression on the halogen bonding of iodic acid – a neutron diffraction study

Richard Jones^*, Craig L. Bull, William G. Marshall, Colin R. Pulham, David R. Allan

^*Corresponding author for this work

Research output: Contribution to journal › Article › peer-review

Abstract / Description of output

The response of the crystallographic structure of iodic acid has been determined using neutron diffraction up to 7.2 GPa. We observe no evidence of a direct structural phase transition. However, we do observe evidence of a molecular re-orientation, previously suggested by a high pressure experimental Raman study and computational study. We show how the crystal structure responds to the application of pressure and observe an increased extent of the halogen-bonding interactions.

Original language	English
Journal	High Pressure Research
Early online date	18 Nov 2024
DOIs	https://doi.org/10.1080/08957959.2024.2428201
Publication status	E-pub ahead of print - 18 Nov 2024

Keywords / Materials (for Non-textual outputs)

halogen bonds
hydrogen bonds
Iodic acid
neutron diffraction

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10.1080/08957959.2024.2428201

20241118PulhamHPRVoRFinal published version, 2.3 MBLicence: Creative Commons: Attribution (CC-BY)

https://www.tandfonline.com/doi/full/10.1080/08957959.2024.2428201

Cite this

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title = "Effects of compression on the halogen bonding of iodic acid – a neutron diffraction study",

abstract = "The response of the crystallographic structure of iodic acid has been determined using neutron diffraction up to 7.2 GPa. We observe no evidence of a direct structural phase transition. However, we do observe evidence of a molecular re-orientation, previously suggested by a high pressure experimental Raman study and computational study. We show how the crystal structure responds to the application of pressure and observe an increased extent of the halogen-bonding interactions.",

keywords = "halogen bonds, hydrogen bonds, Iodic acid, neutron diffraction",

author = "Richard Jones and Bull, {Craig L.} and Marshall, {William G.} and Pulham, {Colin R.} and Allan, {David R.}",

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doi = "10.1080/08957959.2024.2428201",

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T1 - Effects of compression on the halogen bonding of iodic acid – a neutron diffraction study

AU - Jones, Richard

AU - Bull, Craig L.

AU - Marshall, William G.

AU - Pulham, Colin R.

AU - Allan, David R.

PY - 2024/11/18

Y1 - 2024/11/18

N2 - The response of the crystallographic structure of iodic acid has been determined using neutron diffraction up to 7.2 GPa. We observe no evidence of a direct structural phase transition. However, we do observe evidence of a molecular re-orientation, previously suggested by a high pressure experimental Raman study and computational study. We show how the crystal structure responds to the application of pressure and observe an increased extent of the halogen-bonding interactions.

AB - The response of the crystallographic structure of iodic acid has been determined using neutron diffraction up to 7.2 GPa. We observe no evidence of a direct structural phase transition. However, we do observe evidence of a molecular re-orientation, previously suggested by a high pressure experimental Raman study and computational study. We show how the crystal structure responds to the application of pressure and observe an increased extent of the halogen-bonding interactions.

KW - halogen bonds

KW - hydrogen bonds

KW - Iodic acid

KW - neutron diffraction

U2 - 10.1080/08957959.2024.2428201

DO - 10.1080/08957959.2024.2428201

M3 - Article

AN - SCOPUS:85209881298

SN - 0895-7959

JO - High Pressure Research

JF - High Pressure Research

ER -

Effects of compression on the halogen bonding of iodic acid – a neutron diffraction study

Abstract / Description of output

Keywords / Materials (for Non-textual outputs)

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