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Persistent URL http://purl.org/net/epubs/work/65440
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Record Id 65440
Title A combined experimental inelastic neutron scattering, Raman and ab initio lattice dynamics study of a-lithium amidoborane
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)
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Journal Article Phys Chem Chem Phys 13, no. 26 (2011): 12249-12253. doi:10.1039/C1CP20587K 2011