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

doi:10.1039/d2ce01157c

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

School of Molecular Sciences

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

4 Citations (Web of Science)

Abstract

The crystal structure of a new polymorph of methanol (the epsilon polymorph) has been determined at 5.09 GPa by single crystal X-ray diffraction. The polymorph crystallises in the monoclinic space group, P2(1)/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 epsilon phase was also serendipitously seeded by the presence of another crystallite, giving rise to suitable crystallisation conditions 2 GPa lower than previously reported.

Original language	English
Pages (from-to)	7103-7108
Number of pages	6
Journal	CrystEngComm
Volume	24
Issue number	40
DOIs	https://doi.org/10.1039/d2ce01157c
Publication status	Published - 27 Sept 2022

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10.1039/d2ce01157c

Fill it, Squeeze it, Crush it: Extreme Gas Uptake in Microporous Materials
Moggach, S. (Investigator 01)
ARC Australian Research Council
1/10/20 → 30/09/24
Project: Research

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

abstract = "The crystal structure of a new polymorph of methanol (the epsilon polymorph) has been determined at 5.09 GPa by single crystal X-ray diffraction. The polymorph crystallises in the monoclinic space group, P2(1)/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 epsilon phase was also serendipitously seeded by the presence of another crystallite, giving rise to suitable crystallisation conditions 2 GPa lower than previously reported.",

keywords = "LIQUID METHANOL, CRYSTALLIZATION, PREDICTION, ANVIL",

author = "Aldum, {J. Collen} and Isabelle Jones and McGonigal, {Paul R.} and Dino Spagnoli and Stapleton, {Nicholas D.} and Turner, {Gemma F.} and Moggach, {Stephen A.}",

year = "2022",

month = sep,

day = "27",

doi = "10.1039/d2ce01157c",

language = "English",

volume = "24",

pages = "7103--7108",

journal = "CrystEngComm",

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publisher = "ROYAL SOC CHEMISTRY",

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TY - JOUR

T1 - The structure of methanol at 5.09 GPa

T2 - the fortuitous formation of a new high-pressure phase

AU - Aldum, J. Collen

AU - Jones, Isabelle

AU - McGonigal, Paul R.

AU - Spagnoli, Dino

AU - Stapleton, Nicholas D.

AU - Turner, Gemma F.

AU - Moggach, Stephen A.

PY - 2022/9/27

Y1 - 2022/9/27

N2 - The crystal structure of a new polymorph of methanol (the epsilon polymorph) has been determined at 5.09 GPa by single crystal X-ray diffraction. The polymorph crystallises in the monoclinic space group, P2(1)/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 epsilon phase was also serendipitously seeded by the presence of another crystallite, giving rise to suitable crystallisation conditions 2 GPa lower than previously reported.

AB - The crystal structure of a new polymorph of methanol (the epsilon polymorph) has been determined at 5.09 GPa by single crystal X-ray diffraction. The polymorph crystallises in the monoclinic space group, P2(1)/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 epsilon phase was also serendipitously seeded by the presence of another crystallite, giving rise to suitable crystallisation conditions 2 GPa lower than previously reported.

KW - LIQUID METHANOL

KW - CRYSTALLIZATION

KW - PREDICTION

KW - ANVIL

U2 - 10.1039/d2ce01157c

DO - 10.1039/d2ce01157c

M3 - Article

SN - 1466-8033

VL - 24

SP - 7103

EP - 7108

JO - CrystEngComm

JF - CrystEngComm

IS - 40

ER -

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

Abstract

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Fill it, Squeeze it, Crush it: Extreme Gas Uptake in Microporous Materials

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