Structure and dynamics of ammonium borohydride

Chem Commun (Camb). 2010 Dec 28;46(48):9164-6. doi: 10.1039/c0cc03297b. Epub 2010 Oct 29.

Abstract

Synchrotron powder X-ray diffraction, ab initio molecular dynamics calculations and solid state (1)H and (2)H NMR are used to refine the structure of crystalline NH(4)BH(4) including H atoms. Rapid reorientations of both ions mean that on average half-hydrogens occupy the corners of a cube around B or N.