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Persistent URL	http://purl.org/net/epubs/work/65440
Record Status	Checked
Record Id	65440
Title	A combined experimental inelastic neutron scattering, Raman and ab initio lattice dynamics study of a-lithium amidoborane
Contributors	KR Ryan (STFC Rutherford Appleton Lab.), AJ Ramirez-Cuesta (STFC Rutherford Appleton Lab.), K Refson (STFC Rutherford Appleton Lab.), MO Jones (STFC Rutherford Appleton Lab.), PP Edwards (Oxford U.), WIF David (STFC Rutherford Appleton Lab.)
Abstract	A combination of inelastic neutron scattering (INS) spectroscopy and Raman spectroscopy with periodic density functional theory calculations is used to provide a complete assignment of the vibrational spectra of a-lithium amidoborane (a-LiNH2BH3). The Born charge density and the atomic motion up to the decomposition temperature have been modelled. These models not only explain the nature of bonding in a-LiNH2BH3 but also provide an insight into the atomic mechanisms of its decomposition. The (INS) measurements were performed in the range of 0–4000 cm-1 on the high-resolution time-of-flight TOSCA INS spectrometer at the ISIS Spallation Neutron Source at the Rutherford Appleton Laboratory.
Organisation	ISIS , ISIS-TOSCA , STFC
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Language	English (EN)

Type	Details	URI(s)	Local file(s)	Year
Journal Article	Phys Chem Chem Phys 13, no. 26 (2011): 12249-12253.	doi:10.1039/C1CP20587K		2011