Breathers or structural instability in solid L-alanine: A new IR and inelastic neutron scattering vibrational spectroscopic study

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Breathers or structural instability in solid L-alanine : A new IR and inelastic neutron scattering vibrational spectroscopic study. / Barthes, Mariette; Fahre Vik, Aasmund; Spire, Alexandra; Bordallo, Heloisa N.; Eckert, Juergen.

In: Journal of Physical Chemistry A, Vol. 106, No. 21, 30.05.2002, p. 5230-5241.

Research output: Contribution to journal › Journal article › Research › peer-review

Harvard

Barthes, M, Fahre Vik, A, Spire, A, Bordallo, HN & Eckert, J 2002, 'Breathers or structural instability in solid L-alanine: A new IR and inelastic neutron scattering vibrational spectroscopic study', Journal of Physical Chemistry A, vol. 106, no. 21, pp. 5230-5241. https://doi.org/10.1021/jp015615c

APA

Barthes, M., Fahre Vik, A., Spire, A., Bordallo, H. N., & Eckert, J. (2002). Breathers or structural instability in solid L-alanine: A new IR and inelastic neutron scattering vibrational spectroscopic study. Journal of Physical Chemistry A, 106(21), 5230-5241. https://doi.org/10.1021/jp015615c

Vancouver

Barthes M, Fahre Vik A, Spire A, Bordallo HN, Eckert J. Breathers or structural instability in solid L-alanine: A new IR and inelastic neutron scattering vibrational spectroscopic study. Journal of Physical Chemistry A. 2002 May 30;106(21):5230-5241. https://doi.org/10.1021/jp015615c

Author

Barthes, Mariette ; Fahre Vik, Aasmund ; Spire, Alexandra ; Bordallo, Heloisa N. ; Eckert, Juergen. / Breathers or structural instability in solid L-alanine : A new IR and inelastic neutron scattering vibrational spectroscopic study. In: Journal of Physical Chemistry A. 2002 ; Vol. 106, No. 21. pp. 5230-5241.

Bibtex

@article{8802c1c98adc4ee3953972dbba6a3f3b,
title = "Breathers or structural instability in solid L-alanine: A new IR and inelastic neutron scattering vibrational spectroscopic study",
abstract = "Incoherent Inelastic Neutron Scattering data and new infrared spectra were acquired in order to examine both the external and internal vibrations in crystalline L-alanine. For the first time we observe a splitting of the NH3+ torsional band below a temperature of approximately 220 K as well as an overtone of this band. The intensity of both of these bands is strongly dependent on temperature. Birefringence and depolarization measurements performed with single crystals reveal a subtle breaking of symmetry around 220 K perhaps involving the hydrogen bond networks. We show that this instability cannot, however, be the origin of the observed splitting. Instead, the anomalous temperature dependence of the observed intensity and frequency of the torsional mode and its overtone may be explained on the basis of a nonlinear coupling of the NH3+ oscillator with lattice phonons. This leads to localization of vibrational energy, a so-called {"}breather{"} or {"}vibrational polaron{"}.",
author = "Mariette Barthes and {Fahre Vik}, Aasmund and Alexandra Spire and Bordallo, {Heloisa N.} and Juergen Eckert",
year = "2002",
month = may,
day = "30",
doi = "10.1021/jp015615c",
language = "English",
volume = "106",
pages = "5230--5241",
journal = "Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory",
issn = "1089-5639",
publisher = "American Chemical Society",
number = "21",

}

RIS

TY - JOUR

T1 - Breathers or structural instability in solid L-alanine

T2 - A new IR and inelastic neutron scattering vibrational spectroscopic study

AU - Barthes, Mariette

AU - Fahre Vik, Aasmund

AU - Spire, Alexandra

AU - Bordallo, Heloisa N.

AU - Eckert, Juergen

PY - 2002/5/30

Y1 - 2002/5/30

N2 - Incoherent Inelastic Neutron Scattering data and new infrared spectra were acquired in order to examine both the external and internal vibrations in crystalline L-alanine. For the first time we observe a splitting of the NH3+ torsional band below a temperature of approximately 220 K as well as an overtone of this band. The intensity of both of these bands is strongly dependent on temperature. Birefringence and depolarization measurements performed with single crystals reveal a subtle breaking of symmetry around 220 K perhaps involving the hydrogen bond networks. We show that this instability cannot, however, be the origin of the observed splitting. Instead, the anomalous temperature dependence of the observed intensity and frequency of the torsional mode and its overtone may be explained on the basis of a nonlinear coupling of the NH3+ oscillator with lattice phonons. This leads to localization of vibrational energy, a so-called "breather" or "vibrational polaron".

AB - Incoherent Inelastic Neutron Scattering data and new infrared spectra were acquired in order to examine both the external and internal vibrations in crystalline L-alanine. For the first time we observe a splitting of the NH3+ torsional band below a temperature of approximately 220 K as well as an overtone of this band. The intensity of both of these bands is strongly dependent on temperature. Birefringence and depolarization measurements performed with single crystals reveal a subtle breaking of symmetry around 220 K perhaps involving the hydrogen bond networks. We show that this instability cannot, however, be the origin of the observed splitting. Instead, the anomalous temperature dependence of the observed intensity and frequency of the torsional mode and its overtone may be explained on the basis of a nonlinear coupling of the NH3+ oscillator with lattice phonons. This leads to localization of vibrational energy, a so-called "breather" or "vibrational polaron".

UR - http://www.scopus.com/inward/record.url?scp=0037198821&partnerID=8YFLogxK

U2 - 10.1021/jp015615c

DO - 10.1021/jp015615c

M3 - Journal article

AN - SCOPUS:0037198821

VL - 106

SP - 5230

EP - 5241

JO - Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory

JF - Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory

SN - 1089-5639

IS - 21

ER -

ID: 218267001