The crystal structures of the low-temperature and high-pressure polymorphs of nitric acid

D.R. Allan, W.G. Marshall, D.J. Francis, I.D.H. Oswald, C.R. Pulham, C. Spanswick

Research output: Contribution to journalArticle

6 Citations (Scopus)

Abstract

A new high-pressure phase of pure nitric acid (HNO3) has been characterised at 1.6 GPa at room temperature by high-pressure neutron powder and X-ray single-crystal diffraction techniques. This is the first crystalline phase obtained upon compression of liquid nitric acid at room temperature and appears to be the stable phase up to pressures of at least 4 GPa. The crystal structure of this new phase shows some similarities to that of the low-temperature phase of nitric acid at ambient pressure, which has been redetermined as part of this study. Both structures share a herringbone packing of hydrogen-bonded molecular catemers, although the presence of disorder within the hydrogen bonds within one of the catemers of the low-temperature phase makes its structure comparatively more complex.
LanguageEnglish
Pages3736-3743
Number of pages7
JournalDalton Transactions
Volume39
Issue number15
DOIs
Publication statusPublished - 2010

Fingerprint

Nitric Acid
Polymorphism
Crystal structure
Temperature
Powders
Hydrogen
Hydrogen bonds
Neutrons
Compaction
Diffraction
Single crystals
Crystalline materials
X rays
Liquids

Keywords

  • crystal structures
  • low-temperature
  • high-pressure
  • nitric acid

Cite this

Allan, D. R., Marshall, W. G., Francis, D. J., Oswald, I. D. H., Pulham, C. R., & Spanswick, C. (2010). The crystal structures of the low-temperature and high-pressure polymorphs of nitric acid. Dalton Transactions, 39(15), 3736-3743. https://doi.org/10.1039/B923975H
Allan, D.R. ; Marshall, W.G. ; Francis, D.J. ; Oswald, I.D.H. ; Pulham, C.R. ; Spanswick, C. / The crystal structures of the low-temperature and high-pressure polymorphs of nitric acid. In: Dalton Transactions. 2010 ; Vol. 39, No. 15. pp. 3736-3743.
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Allan, DR, Marshall, WG, Francis, DJ, Oswald, IDH, Pulham, CR & Spanswick, C 2010, 'The crystal structures of the low-temperature and high-pressure polymorphs of nitric acid' Dalton Transactions, vol. 39, no. 15, pp. 3736-3743. https://doi.org/10.1039/B923975H

The crystal structures of the low-temperature and high-pressure polymorphs of nitric acid. / Allan, D.R.; Marshall, W.G.; Francis, D.J.; Oswald, I.D.H.; Pulham, C.R.; Spanswick, C.

In: Dalton Transactions, Vol. 39, No. 15, 2010, p. 3736-3743.

Research output: Contribution to journalArticle

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T1 - The crystal structures of the low-temperature and high-pressure polymorphs of nitric acid

AU - Allan, D.R.

AU - Marshall, W.G.

AU - Francis, D.J.

AU - Oswald, I.D.H.

AU - Pulham, C.R.

AU - Spanswick, C.

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AB - A new high-pressure phase of pure nitric acid (HNO3) has been characterised at 1.6 GPa at room temperature by high-pressure neutron powder and X-ray single-crystal diffraction techniques. This is the first crystalline phase obtained upon compression of liquid nitric acid at room temperature and appears to be the stable phase up to pressures of at least 4 GPa. The crystal structure of this new phase shows some similarities to that of the low-temperature phase of nitric acid at ambient pressure, which has been redetermined as part of this study. Both structures share a herringbone packing of hydrogen-bonded molecular catemers, although the presence of disorder within the hydrogen bonds within one of the catemers of the low-temperature phase makes its structure comparatively more complex.

KW - crystal structures

KW - low-temperature

KW - high-pressure

KW - nitric acid

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DO - 10.1039/B923975H

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T2 - Dalton Transactions

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