A new class of binuclear gallium hydrides: synthesis and properties of [{GaCl(hpp)H}2] (hpp=1,3,4,6,7,8-Hexahydro-2H-pyrimido[1,2-a]pyrimidate)
Herein we report on the synthesis and characterization of the first representative of a new class of gallium hydrides, namely [{GaCl(hpp)H}2] (hpp=1,3,4,6,7,8-hexahydro-2H-pyrimido[1,2-a]pyrimidate). Our X-ray diffraction data suggest the presence of weak HH contacts between adjacent [{GaCl(hpp)H}2...
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| Main Authors: | , |
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| Format: | Article (Journal) |
| Language: | English |
| Published: |
2007
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| In: |
Chemistry - a European journal
Year: 2007, Volume: 13, Issue: 9, Pages: 2648-2654 |
| ISSN: | 1521-3765 |
| DOI: | 10.1002/chem.200600807 |
| Online Access: | Verlag, Volltext: http://dx.doi.org/10.1002/chem.200600807 Verlag, Volltext: http://onlinelibrary.wiley.com/doi/10.1002/chem.200600807/abstract 
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| Author Notes: | George Robinson, Christina Y. Tang, Ralf Köppe, Andrew R. Cowley, and Hans-Jörg Himmel |
| Summary: | Herein we report on the synthesis and characterization of the first representative of a new class of gallium hydrides, namely [{GaCl(hpp)H}2] (hpp=1,3,4,6,7,8-hexahydro-2H-pyrimido[1,2-a]pyrimidate). Our X-ray diffraction data suggest the presence of weak HH contacts between adjacent [{GaCl(hpp)H}2] molecules in the crystal. With the aid of quantum-chemical calculations, the pathway of its formation starting with the adduct H2ClGa⋅NMe3 and the pyrimidine hppH were analyzed. [{GaCl(hpp)H}2] slowly decomposes at 25 °C, a process which presumably leads under H2 elimination to [{GaCl(hpp)}2]. Although we were not yet able to characterize [{GaCl(hpp)}2] experimentally, DFT calculations provide information about its likely structure. According to these calculations, the molecule features a GaGa single bond. |
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| Item Description: | Gesehen am 02.03.2018 |
| Physical Description: | Online Resource |
| ISSN: | 1521-3765 |
| DOI: | 10.1002/chem.200600807 |