Vibrational mode analysis of isomorphous hydrogen-bonded guanidinium sulfonates with inelastic neutron scattering and density-functional theory

A. M. Pivovar; M. D. Ward; T. Yildirim; D. A. Neumann

doi:10.1063/1.1381530

Vibrational mode analysis of isomorphous hydrogen-bonded guanidinium sulfonates with inelastic neutron scattering and density-functional theory

A. M. Pivovar, M. D. Ward, T. Yildirim, D. A. Neumann

Chemistry

Research output: Contribution to journal › Article › peer-review

Abstract

A detailed analysis of the low-frequency vibrationa modes in GMS, GTRI, and GDT was carried out. The sheet-like crystals of these materials were examined in different orientations in order to assign parallel and perpendicular vibrational modes associated with hydrogen displacements relative to the hydrogen-bonded GS sheets. It was found that the inelastic neutron scattering (INS) spectra of all three compounds are comparable to that previously reported for quanidinium nitrate (GN).

Original language	English (US)
Pages (from-to)	1909-1915
Number of pages	7
Journal	Journal of Chemical Physics
Volume	115
Issue number	4
DOIs	https://doi.org/10.1063/1.1381530
State	Published - Jul 22 2001

ASJC Scopus subject areas

Physics and Astronomy(all)
Physical and Theoretical Chemistry

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abstract = "A detailed analysis of the low-frequency vibrationa modes in GMS, GTRI, and GDT was carried out. The sheet-like crystals of these materials were examined in different orientations in order to assign parallel and perpendicular vibrational modes associated with hydrogen displacements relative to the hydrogen-bonded GS sheets. It was found that the inelastic neutron scattering (INS) spectra of all three compounds are comparable to that previously reported for quanidinium nitrate (GN).",

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AU - Neumann, D. A.

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AB - A detailed analysis of the low-frequency vibrationa modes in GMS, GTRI, and GDT was carried out. The sheet-like crystals of these materials were examined in different orientations in order to assign parallel and perpendicular vibrational modes associated with hydrogen displacements relative to the hydrogen-bonded GS sheets. It was found that the inelastic neutron scattering (INS) spectra of all three compounds are comparable to that previously reported for quanidinium nitrate (GN).

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Vibrational mode analysis of isomorphous hydrogen-bonded guanidinium sulfonates with inelastic neutron scattering and density-functional theory

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