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

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

Research output: Contribution to journalArticle

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 languageEnglish (US)
Pages (from-to)1909-1915
Number of pages7
JournalJournal of Chemical Physics
Volume115
Issue number4
DOIs
StatePublished - Jul 22 2001

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Inelastic neutron scattering
Guanidine
sulfonates
Density functional theory
Hydrogen
vibration mode
inelastic scattering
neutron scattering
density functional theory
hydrogen
Crystal orientation
Nitrates
nitrates
low frequencies
Crystals
crystals

ASJC Scopus subject areas

  • Atomic and Molecular Physics, and Optics

Cite this

Vibrational mode analysis of isomorphous hydrogen-bonded guanidinium sulfonates with inelastic neutron scattering and density-functional theory. / Pivovar, A. M.; Ward, Michael; Yildirim, T.; Neumann, D. A.

In: Journal of Chemical Physics, Vol. 115, No. 4, 22.07.2001, p. 1909-1915.

Research output: Contribution to journalArticle

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