Vibrational spectra and structure of borohydrides
Source abstract
Abstract
A comparison of the vibrational spectra of many inorganic borohydrides allows us to distinguish compounds with isolated BH4- ions and compounds containing complex ions such as Sc(BH4)4-. The characteristic spectral features of both types of compounds are identified, showing that the B–H bonding is quite different in both cases. A detailed analysis of the vibrations of the isolated BH4- ions provides new information about their local structure. Angular deformations of individual borohydride ion are analyzed quantitatively. It appears that the compounds containing isolated BH4- ions belong to those with the most electropositive cations and the highest decomposition temperature, while the complex borohydrides show significantly lower decomposition temperatures and possible diborane formation.
Source: openaire · Quality: candidate unverified · Source record ↗
Research context
OpenAlex topics: Hydrogen Storage and Materials · Advanced Chemical Physics Studies · Inorganic Fluorides and Related Compounds
SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.
References (19)
Show source-provided references
1. Nakamori · Phys. Rev. B · 2006 · 74 · 045126-110.1103/PhysRevB.74.045126 ↗
2. Tailoring properties of borohydrides for hydrogen storage: a review10.1002/pssa.201001214 ↗
3. Ravnsbæk · Angew. Chem. Int. Ed. · 2009 · 48 · 665910.1002/anie.200903030 ↗
4. Hagemann · J. Phys. Chem. A · 2008 · 112 · 755110.1021/jp803201q ↗
5. Diborane release and strucutre distortion in borohydrides10.1039/C2DT31608K ↗
6. Parker · Coord. Chem. Rev. · 2010 · 254 · 21510.1016/j.ccr.2009.06.016 ↗
7. Reed · Curr. Opin. Solid State Mater. Sci. · 2011 · 15 · 6210.1016/j.cossms.2010.12.001 ↗
8. Hagemann · Dalton Trans. · 2010 · 39 · 600610.1039/b927002g ↗
9. Becke · J. Chem. Phys. · 1993 · 98 · 564810.1063/1.464913 ↗
10. Stephens · J. Phys. Chem. · 1994 · 98 · 1162310.1021/j100096a001 ↗
11. M.J. Frisch, G.W. Trucks, H.B. Schlegel, G.E. Scuseria, M.A. Robb, J.R. Cheeseman, G. Scalmani, V. Barone, B. Mennucci, G.A. Petersson, H. Nakatsuji, M. Caricato, X. Li, H.P. Hratchian, A.F. Izmaylov, J. Bloino, G. Zheng, J.L. Sonnenberg, M. Hada, M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, T. Vreven, J. A. Montgomery, Jr., J.E. Peralta, F. Ogliaro, M. Bearpark, J.J. Heyd, E. Brothers, K.N. Kudin, V.N. Staroverov, R. Kobayashi, J. Normand, K. Raghavachari, A. Rendell, J.C. Burant, S.S. Iyengar, J. Tomasi, M. Cossi, N. Rega, J.M. Millam, M. Klene, J.E. Knox, J.B. Cross, V. Bakken, C. Adamo, J. Jaramillo, R. Gomperts, R.E. Stratmann, O. Yazyev, A.J. Austin, R. Cammi, C. Pomelli, J.W. Ochterski, R.L. Martin, K. Morokuma, V.G. Zakrzewski, G.A. Voth, P. Salvador, J.J. Dannenberg, S. Dapprich, A.D. Daniels, Ö. Farkas, J.B. Foresman, J.V. Ortiz, J. Cioslowski, D.J. Fox, Gaussian, Gaussian, Inc., Wallingford CT, 2009.
12. Černý · J. Phys. Chem. C · 2010 · 114 · 1954010.1021/jp106280v ↗
13. Lindemann · Faraday Discuss. · 2011 · 151 · 23110.1039/c0fd00024h ↗
14. Carbonnière · J. Phys. Chem. A · 2006 · 110 · 992710.1021/jp062091d ↗
15. Severa · J. Phys. Chem. C · 2010 · 114 · 1551610.1021/jp101675q ↗
16. Miwa · Phys. Rev. B · 2004 · 69 · 24512010.1103/PhysRevB.69.245120 ↗
17. Racu · J. Phys. Chem. A · 2008 · 112 · 971610.1021/jp803005f ↗
18. Wilson · 1955
19. Dmitriev · Phys. Rev. B · 2008 · 77 · 174112-1