Materials for hydrogen storage: structure and dynamics of borane ammonia complex

VM Parvanov, GK Schenter, NJ Hess, LL Daemen…

Index: Parvanov, Vencislav M.; Schenter, Gregory K.; Hess, Nancy J.; Daemen, Luke L.; Hartl, Monika; Stowe, Ashley C.; Camaioni, Donald M.; Autrey, Tom Dalton Transactions, 2008 , # 33 p. 4514 - 4522

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Citation Number: 31

Abstract

The activation energies for rotations in low-temperature orthorhombic ammonia borane were analyzed and characterized in terms of electronic structure theory. The perdeuterated 11B- enriched ammonia borane, 11BD3ND3, sample was synthesized, and the structure was refined from neutron powder diffraction data at 175 K. This temperature has been chosen as median of the range of previously reported nuclear magnetic resonance spectroscopy ...