The structure of methanol at 5.09 GPa: the fortuitous formation of a new high-pressure phase

J. Collen Aldum, Isabelle Jones, Paul R. McGonigal, Dino Spagnoli*, Nicholas D. Stapleton, Gemma F. Turner, Stephen A. Moggach

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review


The crystal structure of a new polymorph of methanol (the ϵ polymorph) has been determined at 5.09 GPa by single crystal X-ray diffraction. The polymorph crystallises in the monoclinic space group, P21/c, with twelve molecules in the unit cell, and exhibits a 4-membered hydrogen bonded ring structure, never previously observed in any crystal structure of methanol. The ϵ phase was also serendipitously seeded by the presence of another crystallite, giving rise to suitable crystallisation conditions 2 GPa lower than previously reported.

Original languageEnglish
Pages (from-to)7103-7108
Number of pages6
Issue number40
Publication statusPublished - 27 Sept 2022

Bibliographical note

Funding Information:
This work was supported by resources provided by the Pawsey Supercomputing Centre with funding from the Australian Government and the Government of Western Australia. GFT, JCA and NDS received support through the Australian Government Research Training Program (RTP) fees offset scholarship and stipend, and NDS also acknowledges support from the AINSE Postgraduate Research Award (PGRA). SAM acknowledges the support of the Australian Research Council (ARC) from a Future Fellowship (FT200100243).

Publisher Copyright:
© 2022 The Royal Society of Chemistry.

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