Structure-property relations in crystalline L-leucine obtained from calorimetry, X-rays, neutron and Raman scattering

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Standard

Structure-property relations in crystalline L-leucine obtained from calorimetry, X-rays, neutron and Raman scattering. / Facanha Filho, Pedro F.; Jiao, Xueshe; Freire, Paulo T. C.; dos Santos, Adenilson O; Henry, Paul F.; Yokaichiya, Fabiano; Kremner, Ewout; Bordallo, Heloisa N.

I: Physical Chemistry Chemical Physics, Bind 13, Nr. 14, 03.02.2011, s. 6576-6583 .

Publikation: Bidrag til tidsskriftTidsskriftartikelfagfællebedømt

Harvard

Facanha Filho, PF, Jiao, X, Freire, PTC, dos Santos, AO, Henry, PF, Yokaichiya, F, Kremner, E & Bordallo, HN 2011, 'Structure-property relations in crystalline L-leucine obtained from calorimetry, X-rays, neutron and Raman scattering', Physical Chemistry Chemical Physics, bind 13, nr. 14, s. 6576-6583 . https://doi.org/10.1039/c0cp02278k

APA

Facanha Filho, P. F., Jiao, X., Freire, P. T. C., dos Santos, A. O., Henry, P. F., Yokaichiya, F., Kremner, E., & Bordallo, H. N. (2011). Structure-property relations in crystalline L-leucine obtained from calorimetry, X-rays, neutron and Raman scattering. Physical Chemistry Chemical Physics, 13(14), 6576-6583 . https://doi.org/10.1039/c0cp02278k

Vancouver

Facanha Filho PF, Jiao X, Freire PTC, dos Santos AO, Henry PF, Yokaichiya F o.a. Structure-property relations in crystalline L-leucine obtained from calorimetry, X-rays, neutron and Raman scattering. Physical Chemistry Chemical Physics. 2011 feb. 3;13(14):6576-6583 . https://doi.org/10.1039/c0cp02278k

Author

Facanha Filho, Pedro F. ; Jiao, Xueshe ; Freire, Paulo T. C. ; dos Santos, Adenilson O ; Henry, Paul F. ; Yokaichiya, Fabiano ; Kremner, Ewout ; Bordallo, Heloisa N. / Structure-property relations in crystalline L-leucine obtained from calorimetry, X-rays, neutron and Raman scattering. I: Physical Chemistry Chemical Physics. 2011 ; Bind 13, Nr. 14. s. 6576-6583 .

Bibtex

@article{bef56a5a9e2c4c8e945ad3477564b84b,
title = "Structure-property relations in crystalline L-leucine obtained from calorimetry, X-rays, neutron and Raman scattering",
abstract = "We have studied the amino acid L-leucine (LEU) using inelastic neutron scattering, X-rays and neutron diffraction, calorimetry and Raman scattering as a function of temperature, focusing on the relationship between the local dynamics of the NH(3), CH(3), CH(2) and CO(2) moieties and the molecular structure of LEU. Calorimetric and diffraction data evidenced two novel phase transitions at about 150 K (T(1)) and 275 K (T(2)). The dynamical susceptibility function, obtained from the inelastic neutron scattering results, shows a re-distribution of the intensity of the vibrational bands that can be directly correlated with the phase transitions observed at T(1) and T(2), as well as with the already reported phase transition at T(3) - 353 K. Through the analysis of the Raman modes, the new structural arrangement observed below T(1) was related to conformational modifications of the CH and CH(3) groups, while the behavior of the N-H stretching vibration, nu(NH(3)), gave insight into the intermolecular N H center dot center dot center dot O interactions. The observation of changes in the translational symmetry in the crystalline lattice, as well as anharmonic dynamics, allows for localized motions in LEU. ",
author = "{Facanha Filho}, {Pedro F.} and Xueshe Jiao and Freire, {Paulo T. C.} and {dos Santos}, {Adenilson O} and Henry, {Paul F.} and Fabiano Yokaichiya and Ewout Kremner and Bordallo, {Heloisa N.}",
year = "2011",
month = feb,
day = "3",
doi = "10.1039/c0cp02278k",
language = "English",
volume = "13",
pages = "6576--6583 ",
journal = "Physical Chemistry Chemical Physics",
issn = "1463-9076",
publisher = "Royal Society of Chemistry",
number = "14",

}

RIS

TY - JOUR

T1 - Structure-property relations in crystalline L-leucine obtained from calorimetry, X-rays, neutron and Raman scattering

AU - Facanha Filho, Pedro F.

AU - Jiao, Xueshe

AU - Freire, Paulo T. C.

AU - dos Santos, Adenilson O

AU - Henry, Paul F.

AU - Yokaichiya, Fabiano

AU - Kremner, Ewout

AU - Bordallo, Heloisa N.

PY - 2011/2/3

Y1 - 2011/2/3

N2 - We have studied the amino acid L-leucine (LEU) using inelastic neutron scattering, X-rays and neutron diffraction, calorimetry and Raman scattering as a function of temperature, focusing on the relationship between the local dynamics of the NH(3), CH(3), CH(2) and CO(2) moieties and the molecular structure of LEU. Calorimetric and diffraction data evidenced two novel phase transitions at about 150 K (T(1)) and 275 K (T(2)). The dynamical susceptibility function, obtained from the inelastic neutron scattering results, shows a re-distribution of the intensity of the vibrational bands that can be directly correlated with the phase transitions observed at T(1) and T(2), as well as with the already reported phase transition at T(3) - 353 K. Through the analysis of the Raman modes, the new structural arrangement observed below T(1) was related to conformational modifications of the CH and CH(3) groups, while the behavior of the N-H stretching vibration, nu(NH(3)), gave insight into the intermolecular N H center dot center dot center dot O interactions. The observation of changes in the translational symmetry in the crystalline lattice, as well as anharmonic dynamics, allows for localized motions in LEU.

AB - We have studied the amino acid L-leucine (LEU) using inelastic neutron scattering, X-rays and neutron diffraction, calorimetry and Raman scattering as a function of temperature, focusing on the relationship between the local dynamics of the NH(3), CH(3), CH(2) and CO(2) moieties and the molecular structure of LEU. Calorimetric and diffraction data evidenced two novel phase transitions at about 150 K (T(1)) and 275 K (T(2)). The dynamical susceptibility function, obtained from the inelastic neutron scattering results, shows a re-distribution of the intensity of the vibrational bands that can be directly correlated with the phase transitions observed at T(1) and T(2), as well as with the already reported phase transition at T(3) - 353 K. Through the analysis of the Raman modes, the new structural arrangement observed below T(1) was related to conformational modifications of the CH and CH(3) groups, while the behavior of the N-H stretching vibration, nu(NH(3)), gave insight into the intermolecular N H center dot center dot center dot O interactions. The observation of changes in the translational symmetry in the crystalline lattice, as well as anharmonic dynamics, allows for localized motions in LEU.

U2 - 10.1039/c0cp02278k

DO - 10.1039/c0cp02278k

M3 - Journal article

VL - 13

SP - 6576

EP - 6583

JO - Physical Chemistry Chemical Physics

JF - Physical Chemistry Chemical Physics

SN - 1463-9076

IS - 14

ER -

ID: 38006372