Raman spectroscopy study of ammonia borane at high pressure

Yu Lin; Wendy L. Mao; Vadym Drozd; Jiuhua Chen; Luke L. Daemen

doi:10.1063/1.3040276

Raman spectroscopy study of ammonia borane at high pressure

Yu Lin, Wendy L. Mao, Vadym Drozd, Jiuhua Chen, Luke L. Daemen

Research output: Contribution to journal › Article › peer-review

76 Scopus citations

Abstract

Ammonia borane, NH₃BH₃, has attracted significant interest as a promising candidate material for hydrogen storage. The effect of pressure on the bonding in NH₃BH₃ 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 NH₃ proton donor group exhibited negative pressure dependence, which is consistent with the behavior of conventional hydrogen bonds, while the vibrational frequencies of the BH₃ 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 BH₃ and NH₃ bending modes showed an increase in spectral complexity with increasing pressure together with a discontinuity in dν/dP which suggests rotational disorder in this molecule. These results may provide guidance for understanding and developing improved hydrogen storage materials.

Original language	English
Article number	234509
Journal	Journal of Chemical Physics
Volume	129
Issue number	23
DOIs	https://doi.org/10.1063/1.3040276
State	Published - 2008
Externally published	Yes

Funding

This work was supported by the Department of Energy (DOE) under Award No. DE-FG02-07ER46461, the Stanford Institute for Materials and Energy Science under Contract No. DE-AC02-76SF00515, and DOE-NNSA (CDAC). Raman measurements were carried out at HPCAT (Sector 16) of the Advanced Photon Source (APS), Argonne National Laboratory. HPCAT was supported by the DOE-BES, DOE-NNSA, NSF, and the W. M. Keck Foundation. APS was supported by the DOE-BES, under Contract No. DE-AC02-06CH11357.

Funders	Funder number
CDAC
DOE-BES
DOE-NNSA
Stanford Institute for Materials and Energy Science	DE-AC02-76SF00515
National Science Foundation
U.S. Department of Energy	DE-FG02-07ER46461
W. M. Keck Foundation	DE-AC02-06CH11357

UN SDGs

This output contributes to the following UN Sustainable Development Goals (SDGs)

Access to Document

10.1063/1.3040276

Cite this

@article{cbb5eab525bc491285e94a8194ba14cb,

title = "Raman spectroscopy study of ammonia borane at high pressure",

abstract = "Ammonia borane, NH3BH3, has attracted significant interest as a promising candidate material for hydrogen storage. The effect of pressure on the bonding in NH3BH3 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 NH3 proton donor group exhibited negative pressure dependence, which is consistent with the behavior of conventional hydrogen bonds, while the vibrational frequencies of the BH3 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 BH3 and NH3 bending modes showed an increase in spectral complexity with increasing pressure together with a discontinuity in dν/dP which suggests rotational disorder in this molecule. These results may provide guidance for understanding and developing improved hydrogen storage materials.",

author = "Yu Lin and Mao, {Wendy L.} and Vadym Drozd and Jiuhua Chen and Daemen, {Luke L.}",

year = "2008",

doi = "10.1063/1.3040276",

language = "English",

volume = "129",

journal = "Journal of Chemical Physics",

issn = "0021-9606",

publisher = "American Institute of Physics",

number = "23",

}

TY - JOUR

T1 - Raman spectroscopy study of ammonia borane at high pressure

AU - Lin, Yu

AU - Mao, Wendy L.

AU - Drozd, Vadym

AU - Chen, Jiuhua

AU - Daemen, Luke L.

PY - 2008

Y1 - 2008

N2 - Ammonia borane, NH3BH3, has attracted significant interest as a promising candidate material for hydrogen storage. The effect of pressure on the bonding in NH3BH3 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 NH3 proton donor group exhibited negative pressure dependence, which is consistent with the behavior of conventional hydrogen bonds, while the vibrational frequencies of the BH3 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 BH3 and NH3 bending modes showed an increase in spectral complexity with increasing pressure together with a discontinuity in dν/dP which suggests rotational disorder in this molecule. These results may provide guidance for understanding and developing improved hydrogen storage materials.

AB - Ammonia borane, NH3BH3, has attracted significant interest as a promising candidate material for hydrogen storage. The effect of pressure on the bonding in NH3BH3 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 NH3 proton donor group exhibited negative pressure dependence, which is consistent with the behavior of conventional hydrogen bonds, while the vibrational frequencies of the BH3 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 BH3 and NH3 bending modes showed an increase in spectral complexity with increasing pressure together with a discontinuity in dν/dP which suggests rotational disorder in this molecule. These results may provide guidance for understanding and developing improved hydrogen storage materials.

UR - http://www.scopus.com/inward/record.url?scp=57849161912&partnerID=8YFLogxK

U2 - 10.1063/1.3040276

DO - 10.1063/1.3040276

M3 - Article

AN - SCOPUS:57849161912

SN - 0021-9606

VL - 129

JO - Journal of Chemical Physics

JF - Journal of Chemical Physics

IS - 23

M1 - 234509

ER -

Raman spectroscopy study of ammonia borane at high pressure

Abstract

Funding

UN SDGs

Access to Document

Other files and links

Fingerprint

Cite this