کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
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1333285 | 979072 | 2007 | 8 صفحه PDF | دانلود رایگان |
![عکس صفحه اول مقاله: Structure and vibrational dynamics of isotopically labeled lithium borohydride using neutron diffraction and spectroscopy Structure and vibrational dynamics of isotopically labeled lithium borohydride using neutron diffraction and spectroscopy](/preview/png/1333285.png)
The crystalline structure of a 7Li and 11B labeled lithium borohydride has been investigated using neutron powder diffraction at 3.5, 360, and 400 K. The B–H bond lengths and H–B–H angles for the [BH4]− tetrahedra indicated that the tetrahedra maintained a nearly ideal configuration throughout the temperature range investigated. The atomic displacement parameters at 360 K suggest that the [BH4]− tetrahedra become increasingly disordered as a result of large amplitude librational and reorientational motions as the orthorhombic to hexagonal phase transition (T=384 K) is approached. In the high-temperature hexagonal phase, the [BH4]− tetrahedra displayed extreme disorder about the trigonal axis along which they are aligned. Neutron vibrational spectroscopy data were collected at 5 K over an energy range of 10–170 meV, and were found to be in good agreement with prior Raman and low-resolution neutron spectroscopy studies.
The structure of 7Li11BH4 in the low-temperature Pnma phase, including atomic displacement ellipsoids, at 3.5 K.Figure optionsDownload as PowerPoint slide
Journal: Journal of Solid State Chemistry - Volume 180, Issue 4, April 2007, Pages 1298–1305