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Influence of structural and electronic properties of organomolybdenum( ii ) complexes of the type [CpMo(CO) 3 R] and [CpMo(O 2 )(O)R] (R = Cl, CH 3 , CF 3 ) on the catalytic olefin epoxidation

Six compounds of the type [CpMo(CO) 3 R] (R = Cl ( 1 ), CH 3 ( 2 ), CF 3 ( 3 )) and [CpMo(O 2 )(O)R] (R = Cl ( 4 ), CH 3 ( 5 ), CF 3 ( 6 ) (Cp = η 5 -cyclopentadienyl)) have been synthesised and characterised. The crystal structures of [CpMo(CO) 3 CF 3 ] and [CpMo(O 2 )(O)CF 3 ] are compared to thei...

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Bibliographic Details
Published in:Catalysis science & technology 2015-01, Vol.5 (4), p.2282-2289
Main Authors: Hauser, Simone A., Reich, Robert M., Mink, János, Pöthig, Alexander, Cokoja, Mirza, Kühn, Fritz E.
Format: Article
Language:English
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Summary:Six compounds of the type [CpMo(CO) 3 R] (R = Cl ( 1 ), CH 3 ( 2 ), CF 3 ( 3 )) and [CpMo(O 2 )(O)R] (R = Cl ( 4 ), CH 3 ( 5 ), CF 3 ( 6 ) (Cp = η 5 -cyclopentadienyl)) have been synthesised and characterised. The crystal structures of [CpMo(CO) 3 CF 3 ] and [CpMo(O 2 )(O)CF 3 ] are compared to their literature known chloro and methyl derivatives. The influence of the groups R on the performance as epoxidation catalysts is examined. DFT calculations, IR-spectroscopy and X-ray crystallography help to explain differences in reactivity and enable a rational design of active molybdenum tricarbonyl and oxo-peroxo complexes.
ISSN:2044-4753
2044-4761
DOI:10.1039/C4CY01604A