Year: 2025
Type: article
Abstract: High Resolution Image Download MS PowerPoint Slide This study reports the discovery of two new high-pressure polymorphs of n -butanol, C 4 H 9 OH, HP-I, and HP-II, expanding the variety of known crystalline structures of this monohydroxy alcohol. Using high-pressure single-crystal and powder X-ray diffraction in diamond anvil cells, we observed crystallization of n -butanol at 1.4 GPa, adopting the P 2 1 / c space group, which differs from the already known low temperature, LT, P 1 structure. Upon regrowth of a single crystal at 2.4 GPa, another high-pressure structure was observed. HP-I and HP-II structures show different molecular arrangements while retaining the P 2 1 / c space group. The powder diffraction experiment, within the pressure range from 1.5 to 3.5 GPa, did not show any phase transition from HP-I to HP-II. Raman spectroscopy and DFT calculations confirmed distinct hydrogen-bonding properties in all three LT, HP-I, and HP-II polymorphs while having similar infinite chains of hydrogen bonds. The results highlight the critical role of hydrogen bonding in governing polymorphism under varying pressure conditions.
Source: Crystal Growth & Design
Institutions: University of Warsaw, University of Silesia in Katowice
Language: English
Subfield: Geophysics
Field: Earth and Planetary Sciences
Domain: Physical Sciences
Open Access status: hybrid
Estimated APC paid: $4,500
OpenAlex ID: W4415077780