Pressure-induced phase transitions in l-alanine, revisited

N. A. Tumanov, E. V. Boldyreva, B. A. Kolesov, A. V. Kurnosov, R. Quesada Cabrera

Research output: Contribution to journalArticle

Abstract

The effect of pressure on l-alanine has been studied by X-ray powder diffraction (up to 12.3 GPa), single-crystal X-ray diffraction, Raman spectroscopy and optical microscopy (up to ∼6 GPa). No structural phase transitions have been observed. At ∼2 GPa the cell parameters a and b become accidentally equal to each other, but without a change in space-group symmetry. Neither of two transitions reported by others (to a tetragonal phase at ∼2 GPa and to a monoclinic phase at ∼9 GPa) was observed. The changes in cell parameters were continuous up to the highest measured pressures and the cells remained orthorhombic. Some important changes in the intermolecular interactions occur, which also manifest themselves in the Raman spectra. Two new orthorhombic phases could be crystallized from a MeOH/EtOH/H2O pressure-transmitting mixture in the pressure range 0.8-4.7 GPa, but only if the sample was kept at these pressures for at least 1-2 d. The new phases converted back to l-alanine on decompression. Judging from the Raman spectra and cell parameters, the new phases are most probably not l-alanine but its solvates.

Original languageEnglish
Pages (from-to)458-471
Number of pages14
JournalActa Crystallographica. Section B: Structural Science
Volume66
Issue number4
DOIs
Publication statusPublished - 2010
Externally publishedYes

Fingerprint

Phase Transition
Alanine
Phase transitions
Pressure
X-Ray Diffraction
Raman scattering
Powder Diffraction
Raman Spectrum Analysis
Decompression
X ray powder diffraction
Optical microscopy
Raman spectroscopy
Microscopy
Single crystals
X ray diffraction

Keywords

  • Amino acids
  • Phase transitions
  • Polymorphism
  • Pressure

Cite this

Tumanov, N. A. ; Boldyreva, E. V. ; Kolesov, B. A. ; Kurnosov, A. V. ; Quesada Cabrera, R. / Pressure-induced phase transitions in l-alanine, revisited. In: Acta Crystallographica. Section B: Structural Science. 2010 ; Vol. 66, No. 4. pp. 458-471.
@article{50350931788142d38215c09a260464c4,
title = "Pressure-induced phase transitions in l-alanine, revisited",
abstract = "The effect of pressure on l-alanine has been studied by X-ray powder diffraction (up to 12.3 GPa), single-crystal X-ray diffraction, Raman spectroscopy and optical microscopy (up to ∼6 GPa). No structural phase transitions have been observed. At ∼2 GPa the cell parameters a and b become accidentally equal to each other, but without a change in space-group symmetry. Neither of two transitions reported by others (to a tetragonal phase at ∼2 GPa and to a monoclinic phase at ∼9 GPa) was observed. The changes in cell parameters were continuous up to the highest measured pressures and the cells remained orthorhombic. Some important changes in the intermolecular interactions occur, which also manifest themselves in the Raman spectra. Two new orthorhombic phases could be crystallized from a MeOH/EtOH/H2O pressure-transmitting mixture in the pressure range 0.8-4.7 GPa, but only if the sample was kept at these pressures for at least 1-2 d. The new phases converted back to l-alanine on decompression. Judging from the Raman spectra and cell parameters, the new phases are most probably not l-alanine but its solvates.",
keywords = "Amino acids, Phase transitions, Polymorphism, Pressure",
author = "Tumanov, {N. A.} and Boldyreva, {E. V.} and Kolesov, {B. A.} and Kurnosov, {A. V.} and {Quesada Cabrera}, R.",
year = "2010",
doi = "10.1107/S010876811001983X",
language = "English",
volume = "66",
pages = "458--471",
journal = "Acta Crystallographica. Section B: Structural Science",
issn = "0108-7681",
publisher = "International Union of Crystallography",
number = "4",

}

Pressure-induced phase transitions in l-alanine, revisited. / Tumanov, N. A.; Boldyreva, E. V.; Kolesov, B. A.; Kurnosov, A. V.; Quesada Cabrera, R.

In: Acta Crystallographica. Section B: Structural Science, Vol. 66, No. 4, 2010, p. 458-471.

Research output: Contribution to journalArticle

TY - JOUR

T1 - Pressure-induced phase transitions in l-alanine, revisited

AU - Tumanov, N. A.

AU - Boldyreva, E. V.

AU - Kolesov, B. A.

AU - Kurnosov, A. V.

AU - Quesada Cabrera, R.

PY - 2010

Y1 - 2010

N2 - The effect of pressure on l-alanine has been studied by X-ray powder diffraction (up to 12.3 GPa), single-crystal X-ray diffraction, Raman spectroscopy and optical microscopy (up to ∼6 GPa). No structural phase transitions have been observed. At ∼2 GPa the cell parameters a and b become accidentally equal to each other, but without a change in space-group symmetry. Neither of two transitions reported by others (to a tetragonal phase at ∼2 GPa and to a monoclinic phase at ∼9 GPa) was observed. The changes in cell parameters were continuous up to the highest measured pressures and the cells remained orthorhombic. Some important changes in the intermolecular interactions occur, which also manifest themselves in the Raman spectra. Two new orthorhombic phases could be crystallized from a MeOH/EtOH/H2O pressure-transmitting mixture in the pressure range 0.8-4.7 GPa, but only if the sample was kept at these pressures for at least 1-2 d. The new phases converted back to l-alanine on decompression. Judging from the Raman spectra and cell parameters, the new phases are most probably not l-alanine but its solvates.

AB - The effect of pressure on l-alanine has been studied by X-ray powder diffraction (up to 12.3 GPa), single-crystal X-ray diffraction, Raman spectroscopy and optical microscopy (up to ∼6 GPa). No structural phase transitions have been observed. At ∼2 GPa the cell parameters a and b become accidentally equal to each other, but without a change in space-group symmetry. Neither of two transitions reported by others (to a tetragonal phase at ∼2 GPa and to a monoclinic phase at ∼9 GPa) was observed. The changes in cell parameters were continuous up to the highest measured pressures and the cells remained orthorhombic. Some important changes in the intermolecular interactions occur, which also manifest themselves in the Raman spectra. Two new orthorhombic phases could be crystallized from a MeOH/EtOH/H2O pressure-transmitting mixture in the pressure range 0.8-4.7 GPa, but only if the sample was kept at these pressures for at least 1-2 d. The new phases converted back to l-alanine on decompression. Judging from the Raman spectra and cell parameters, the new phases are most probably not l-alanine but its solvates.

KW - Amino acids

KW - Phase transitions

KW - Polymorphism

KW - Pressure

UR - http://www.scopus.com/inward/record.url?scp=77954828425&partnerID=8YFLogxK

U2 - 10.1107/S010876811001983X

DO - 10.1107/S010876811001983X

M3 - Article

VL - 66

SP - 458

EP - 471

JO - Acta Crystallographica. Section B: Structural Science

JF - Acta Crystallographica. Section B: Structural Science

SN - 0108-7681

IS - 4

ER -