Thermal and catalytic dehydrogenation of the guanidine-borane adducts H3B hppH (hppH = 1,3,4,6,7,8-hexahydro-2H-pyrimido(1,2-a)pyrimidine) and H3B N(H)C(NMe2)2: a combined experimental and quantum chemical study
Herein thermal and catalytic dehydrogenation of the guanidine-borane adducts H3B·hppH (hppH = 1,3,4,6,7,8-hexahydro-2H-pyrimido[1,2-a]pyrimidine) and H3B·N(H)C(NMe2)2 are analysed. Thermal decomposition of H3B·hppH at 80 °C leads to [HB(μ-hpp)]2 and a second boron hydride, which is tentatively ident...
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| Hauptverfasser: | , , , , , , |
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| Dokumenttyp: | Article (Journal) |
| Sprache: | Englisch |
| Veröffentlicht: |
2008
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| In: |
European journal of inorganic chemistry
Year: 2008, Heft: 35, Pages: 5482-5493 |
| ISSN: | 1099-0682 |
| DOI: | 10.1002/ejic.200800564 |
| Online-Zugang: | Verlag, lizenzpflichtig, Volltext: https://doi.org/10.1002/ejic.200800564 Verlag, lizenzpflichtig, Volltext: https://onlinelibrary.wiley.com/doi/abs/10.1002/ejic.200800564 
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| Verfasserangaben: | Oxana Ciobanu, Fayçal Allouti, Pascal Roquette, Simone Leingang, Markus Enders, Hubert Wadepohl, and Hans-Jörg Himmel |
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| 245 | 1 | 0 | |a Thermal and catalytic dehydrogenation of the guanidine-borane adducts H3B hppH (hppH = 1,3,4,6,7,8-hexahydro-2H-pyrimido(1,2-a)pyrimidine) and H3B N(H)C(NMe2)2 |b a combined experimental and quantum chemical study |c Oxana Ciobanu, Fayçal Allouti, Pascal Roquette, Simone Leingang, Markus Enders, Hubert Wadepohl, and Hans-Jörg Himmel |
| 246 | 3 | 3 | |a Thermal and catalytic dehydrogenation of the guanidine-borane adducts H three B hppH (hppH = one , three , four , six , seven , eight -hexahydro- two H-pyrimido(one , two -a)pyrimidine) and H three B N(H)C(NMe two) two |
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| 500 | |a Die Buchstaben "H" und "a" im Ausdruck "2H-pyrimido[1,2-a]" sind kursiv dargestellt | ||
| 500 | |a Im Titel ist die Zahl "3" im Ausdruck "H3B hppH" und "H3B N(H)C(NMe2)2" sowie die Zahl "2" im Ausdruck "H3B N(H)C(NMe2)2"tiefgestellt | ||
| 500 | |a First published: 28 November 2008 | ||
| 500 | |a Gesehen am 01.12.2022 | ||
| 520 | |a Herein thermal and catalytic dehydrogenation of the guanidine-borane adducts H3B·hppH (hppH = 1,3,4,6,7,8-hexahydro-2H-pyrimido[1,2-a]pyrimidine) and H3B·N(H)C(NMe2)2 are analysed. Thermal decomposition of H3B·hppH at 80 °C leads to [HB(μ-hpp)]2 and a second boron hydride, which is tentatively identified as [(κ2N-hpp)BH2]. Decomposition in boiling toluene (110 °C) leads to a mixture of [H2B(μ-hpp)]2 and [HB(μ-hpp)]2, from which [H2B(μ-hpp)]2 can be separated and crystallised. In the presence of a catalyst (with Cp2TiCl2/nBuLi or [Rh(1,5-cod)Cl]2 as precatalysts) dehydrogenation at 80 °C leads predominantly to [H2B(μ-hpp)]2. In the case of H3B·N(H)C(NMe2)2 uncatalysed dehydrogenation turns out to be a very slow process even at 110 °C. Interestingly, the ultimate product of this process is oligomeric methylimino borane, [HBNMe]n. This pathway can be modelled and understood with the aid of quantum chemical calculations. Faster dehydrogenation can be initiated by addition of a catalyst. Finally, the possible mechanisms for thermal and Cp2Ti-catalysed dehydrogenation are analysed for the model compound H3B·N(H)C(NH2)2 by means of quantum chemical (DFT) calculations.(© Wiley-VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2009) | ||
| 650 | 4 | |a Boron | |
| 650 | 4 | |a Dehydrogenation | |
| 650 | 4 | |a Density functional calculations | |
| 650 | 4 | |a Heterogeneous catalysis | |
| 650 | 4 | |a Homogeneous catalysis | |
| 650 | 4 | |a Hydrogen | |
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