TY - JOUR
T1 - Vibrational properties of the gallium monohydrides SrGaGeH, BaGaSiH, BaGaGeH, and BaGaSnH
AU - Evans, Michael J.
AU - Lee, Myeong H.
AU - Holland, Gregory P.
AU - Daemen, Luke L.
AU - Sankey, Otto F.
AU - Häussermann, Ulrich
PY - 2009/8
Y1 - 2009/8
N2 - Vibrational properties of the gallium monohydrides SrGaGeH, BaGaSiH, BaGaGeH, and BaGaSnH (AeGaTtH) have been investigated by means of inelastic neutron scattering (INS) and first principles calculations. The compounds contain separated Ga-H units being part of a two dimensional polyanionic layer, [TtGaH]2- (Tt=Si, Ge, Sn). The INS spectra show internal Ga-H bending and stretching modes at frequencies around 900 and 1200 cm-1, respectively. While the stretching mode is virtually invariant with respect to the variable chemical environment of the Ga-H unit, the bending mode frequency varies and is highest for BaGaSiH and lowest for BaGaSnH. The stretching mode is a direct measure of the Ga-H bond strength, whereas the bending mode reflects indirectly the strength of alkaline earth metal-hydrogen interaction. Accordingly, the terminal Ga-H bond in solid state AeGaTtH is distinct, but-compared to molecular gallium hydrides-very weak.
AB - Vibrational properties of the gallium monohydrides SrGaGeH, BaGaSiH, BaGaGeH, and BaGaSnH (AeGaTtH) have been investigated by means of inelastic neutron scattering (INS) and first principles calculations. The compounds contain separated Ga-H units being part of a two dimensional polyanionic layer, [TtGaH]2- (Tt=Si, Ge, Sn). The INS spectra show internal Ga-H bending and stretching modes at frequencies around 900 and 1200 cm-1, respectively. While the stretching mode is virtually invariant with respect to the variable chemical environment of the Ga-H unit, the bending mode frequency varies and is highest for BaGaSiH and lowest for BaGaSnH. The stretching mode is a direct measure of the Ga-H bond strength, whereas the bending mode reflects indirectly the strength of alkaline earth metal-hydrogen interaction. Accordingly, the terminal Ga-H bond in solid state AeGaTtH is distinct, but-compared to molecular gallium hydrides-very weak.
KW - INS spectroscopy
KW - Metal hydrides
KW - Zintl phases
UR - http://www.scopus.com/inward/record.url?scp=68049092931&partnerID=8YFLogxK
U2 - 10.1016/j.jssc.2009.05.023
DO - 10.1016/j.jssc.2009.05.023
M3 - Article
AN - SCOPUS:68049092931
SN - 0022-4596
VL - 182
SP - 2068
EP - 2073
JO - Journal of Solid State Chemistry
JF - Journal of Solid State Chemistry
IS - 8
ER -