Title of article :
Crystal structure, neutron vibrational spectroscopy, and DFT calculations of Li2B12H12 · 4H2O
Author/Authors :
Muhammed Yousufuddin، نويسنده , , Jae-Hyuk Her، نويسنده , , Wei Zhou، نويسنده , , Satish S. Jalisatgi، نويسنده , , Terrence J. Udovic، نويسنده ,
Issue Information :
روزنامه با شماره پیاپی سال 2009
Abstract :
The crystal structure of Li2B12H12 · 4H2O has been determined by X-ray powder diffraction and confirmed by a combination of neutron vibrational spectroscopy and first-principles calculations. The solvent-free analog of this compound (Li2B12H12) has recently attracted interest as a putative intermediate in the decomposition of LiBH4. Li2B12H12 · 4H2O appears in the initial stages of Li2B12H12 synthesis from LiBH4 and B10H14
Keywords :
crystal structure , lithium borohydride , Neutron scattering , Neutron spectroscopy , Metal hydride , Tetrahydrate , X-ray diffraction , Dodeca-hydrododecaborate , Vibrational spectroscopy
Journal title :
INORGANICA CHIMICA ACTA
Journal title :
INORGANICA CHIMICA ACTA
