H-bonds under pressure

This article is HOT as recommended by the referees. And we’ve made it free to access for 4 weeks.

Crystal growth of aniline-II at 0.8 GPa

Crystal growth of aniline-II at 0.8 GPa

In an extension to previous work showing that H-bond lengths are pressure sensitive, Parsons and co-workers used the PIXEL method (a computational method for structural prediction) to study the variation in energy of intermolecular interactions with pressure, in two crystalline phases of aniline.  

For aniline II, at a pressure of 7.3 GPa, the pressure-induced shortening of the H-bonds was found to go beyond the Cambridge Structural Database limit with the H-bonds being similar in energy to the CH-π contacts.

This ability to manipulate the hierarchy of intermolecular interactions by high pressure could have potentially important implications in crystal engineering.

Read more for FREE about the use of high pressure in crystalline solids at:

Destabilisation of hydrogen bonding and the phase stability of aniline at high pressure
Nicholas P. Funnell, Alice Dawson, William G. Marshall and Simon Parsons
CrystEngComm, 2012, Advance Article
DOI: 10.1039/C2CE26403J, Paper

You may also want to check out previous work from Simon Parsons:

Alanine at 13.6 GPa and its pressure-induced amorphisation at 15 GPa
Nicholas P. Funnell, William G. Marshall and Simon Parsons
CrystEngComm, 2011, 13, 5841-5848
DOI: 10.1039/C1CE05487B, Paper

The effect of pressure on the crystal structure of L-alanine
Nicholas P. Funnell, Alice Dawson, Duncan Francis, Alistair R. Lennie, William G. Marshall, Stephen A. Moggach, John E. Warren and Simon Parsons
CrystEngComm, 2010, 12, 2573-2583
DOI: 10.1039/C001296C, Paper

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