Raman spectroscopy study of ammonia borane at high pressure

Journal Article · Thu Jan 15 04:00:00 EST 2009 · J. Chem. Phys.

DOI:https://doi.org/10.1063/1.3040276· OSTI ID:1007039

Lin, Yu; Mao, Wendy L; Drozd, Vadym; Chen, Jiuhua; Daemen, Luke L ^[1]

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1. Stanford

Ammonia borane, NH{sub 3}BH{sub 3}, has attracted significant interest as a promising candidate material for hydrogen storage. The effect of pressure on the bonding in NH{sub 3}BH{sub 3} was investigated using Raman spectroscopy to over 20 GPa in a diamond anvil cell, and two new transitions were observed at approximately 5 and 12 GPa. Vibrational frequencies for the modes of the NH{sub 3} proton donor group exhibited negative pressure dependence, which is consistent with the behavior of conventional hydrogen bonds, while the vibrational frequencies of the BH{sub 3} proton acceptor group showed positive pressure dependence. The observed behavior of these stretching modes supports the presence of dihydrogen bonding at high pressure. In addition, the BH{sub 3} and NH{sub 3} bending modes showed an increase in spectral complexity with increasing pressure together with a discontinuity in d?/dP which suggests rotational disorder in this molecule. These results may provide guidance for understanding and developing improved hydrogen storage materials.

• Research Organization: Advanced Photon Source (APS), Argonne National Laboratory (ANL), Argonne, IL (US)
• Sponsoring Organization: USDOE
• OSTI ID: 1007039
• Journal Information: J. Chem. Phys., Journal Name: J. Chem. Phys. Journal Issue: (23) ; 2008 Vol. 129; ISSN JCPSA6; ISSN 0021-9606
• Country of Publication: United States
• Language: ENGLISH

Related Subjects

08 HYDROGEN
AMMONIA
BENDING
BONDING
BORANES
DIAMONDS
HYDROGEN
HYDROGEN STORAGE
PRESSURE DEPENDENCE
PROTONS
RAMAN SPECTROSCOPY