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Can Na(2)[B(12)H(12)] be a decomposition product of NaBH(4)?
- Source :
-
Physical chemistry chemical physics : PCCP [Phys Chem Chem Phys] 2010 Dec 07; Vol. 12 (45), pp. 15093-100. Date of Electronic Publication: 2010 Oct 21. - Publication Year :
- 2010
-
Abstract
- We synthesized Na(2)[B(12)H(12)] by a solid state procedure and thermal decomposition of Na[B(3)H(8)], and calculated from a first-principles approach the thermodynamic and structural properties. In particular, the calculated enthalpy of formation of the monoclinic structure, at T = 0 K, of -1086.196 kJ mol(-1) showed that it is a very stable compound. Therefore, in case it were formed during the thermal decomposition of NaBH(4), it would be rather considered a product, which, in addition, prevents the subsequent re-hydrogenation process because of its low reactivity to hydrogen. We reported the isotherms of absorption of H(2), O(2), and H(2)O, calculated both theoretically and experimentally.
Details
- Language :
- English
- ISSN :
- 1463-9084
- Volume :
- 12
- Issue :
- 45
- Database :
- MEDLINE
- Journal :
- Physical chemistry chemical physics : PCCP
- Publication Type :
- Academic Journal
- Accession number :
- 20963237
- Full Text :
- https://doi.org/10.1039/c0cp00877j