H-localized mode in chains of hydrogen-bonded amide groups

Mariette Barthes; Hassan Kellouai; Gabriel Page; Jacques Moret; Susanna W. Johnson; Juergen Eckert

doi:10.1016/0167-2789(93)90027-X

H-localized mode in chains of hydrogen-bonded amide groups

Mariette Barthes, Hassan Kellouai, Gabriel Page, Jacques Moret, Susanna W. Johnson, Juergen Eckert

Chemistry and Biochemistry

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Abstract

New infrared measurements of the anomalous amide modes in acetanilide and its derivatives are presented. Preliminary results of structural data obtained by neutron diffraction at low temperature are also described. Besides the well-known anomalous amide-1 mode (1650 cm^-1), it is shown that the NH out-of-plane bend (770 cm^-1) and the "H-bond strain" (at about 105 cm^-1) exhibit an anomalous increase of intensity proportional to the law exp(-T²/Θ²), suggesting that the amide proton bears a significant electronic distribution as formerly observed for H^- localized modes. Structural data, moreover, show that the thermal ellips of the amide proton has an increasing anisotropy at 15 K. Considering these new results, the theoretical model of a self-trapped "polaronic" state seems to be the most consistent with the whole set of observed anomalies in this family of crystals.

Original language	English
Pages (from-to)	45-50
Number of pages	6
Journal	Physica D: Nonlinear Phenomena
Volume	68
Issue number	1
DOIs	https://doi.org/10.1016/0167-2789(93)90027-X
State	Published - Sep 15 1993

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title = "H-localized mode in chains of hydrogen-bonded amide groups",

abstract = "New infrared measurements of the anomalous amide modes in acetanilide and its derivatives are presented. Preliminary results of structural data obtained by neutron diffraction at low temperature are also described. Besides the well-known anomalous amide-1 mode (1650 cm-1), it is shown that the NH out-of-plane bend (770 cm-1) and the {"}H-bond strain{"} (at about 105 cm-1) exhibit an anomalous increase of intensity proportional to the law exp(-T2/Θ2), suggesting that the amide proton bears a significant electronic distribution as formerly observed for H- localized modes. Structural data, moreover, show that the thermal ellips of the amide proton has an increasing anisotropy at 15 K. Considering these new results, the theoretical model of a self-trapped {"}polaronic{"} state seems to be the most consistent with the whole set of observed anomalies in this family of crystals.",

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T1 - H-localized mode in chains of hydrogen-bonded amide groups

AU - Barthes, Mariette

AU - Kellouai, Hassan

AU - Page, Gabriel

AU - Moret, Jacques

AU - Johnson, Susanna W.

AU - Eckert, Juergen

PY - 1993/9/15

Y1 - 1993/9/15

N2 - New infrared measurements of the anomalous amide modes in acetanilide and its derivatives are presented. Preliminary results of structural data obtained by neutron diffraction at low temperature are also described. Besides the well-known anomalous amide-1 mode (1650 cm-1), it is shown that the NH out-of-plane bend (770 cm-1) and the "H-bond strain" (at about 105 cm-1) exhibit an anomalous increase of intensity proportional to the law exp(-T2/Θ2), suggesting that the amide proton bears a significant electronic distribution as formerly observed for H- localized modes. Structural data, moreover, show that the thermal ellips of the amide proton has an increasing anisotropy at 15 K. Considering these new results, the theoretical model of a self-trapped "polaronic" state seems to be the most consistent with the whole set of observed anomalies in this family of crystals.

AB - New infrared measurements of the anomalous amide modes in acetanilide and its derivatives are presented. Preliminary results of structural data obtained by neutron diffraction at low temperature are also described. Besides the well-known anomalous amide-1 mode (1650 cm-1), it is shown that the NH out-of-plane bend (770 cm-1) and the "H-bond strain" (at about 105 cm-1) exhibit an anomalous increase of intensity proportional to the law exp(-T2/Θ2), suggesting that the amide proton bears a significant electronic distribution as formerly observed for H- localized modes. Structural data, moreover, show that the thermal ellips of the amide proton has an increasing anisotropy at 15 K. Considering these new results, the theoretical model of a self-trapped "polaronic" state seems to be the most consistent with the whole set of observed anomalies in this family of crystals.

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U2 - 10.1016/0167-2789(93)90027-X

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EP - 50

JO - Physica D: Nonlinear Phenomena

JF - Physica D: Nonlinear Phenomena

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ER -

H-localized mode in chains of hydrogen-bonded amide groups

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