Borane B−C Bond Cleavage by a Low-Coordinate Iron Hydride Complex and N−N Bond Cleavage by the Hydridoborate Product
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منابع مشابه
NO2 bond cleavage by MoL3 complexes.
The cleavage of one N-O bond in NO2 by two equivalents of Mo(NRAr)3 has been shown to occur to form molybdenum oxide and nitrosyl complexes. The mechanism and electronic rearrangement of this reaction was investigated using density functional theory, using both a model Mo(NH2)3 system and the full [N((t)Bu)(3,5-dimethylphenyl)] experimental ligand. For the model ligand, several possible modes o...
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Conversion of atmospheric N2 into NH3 is one of the most important chemical processes, because ammonia is the industrial and biological precursor to many nitrogen-containing compounds. Large-scale transformation of N2 and H2 into ammonia is performed in industry by the Haber-Bosch process, using “potassium-promoted” porous iron.1 A view of the N2-reducing active site of iron-molybdenum nitrogen...
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Propene dissociation channels were characterized by ab initio CCSD(T)/6-311++g(d,p) calculations. Inthis work the detailed mechanism of propene dissociation to C2H4+CH2, C2H2+H+CH3, C2H2+CH4 andC3H3+H2+H have been investigated. According to our calculations, ten fragments can be classified intofive dissociated channels. Our results point out that two mechanisms come into play in the H2 eliminat...
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ژورنال
عنوان ژورنال: Organometallics
سال: 2007
ISSN: 0276-7333,1520-6041
DOI: 10.1021/om7003805