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Insight into cis-to-trans Olefin Isomerisation Catalysed by Group 4 and 6 Cyclopentadienyl Compounds
| Content Provider | Semantic Scholar |
|---|---|
| Author | Chahboun, Ghaita Petrisor, Cristina E. Gómez-Bengoa, Enrique Royo, Eva Cuenca, Tomás |
| Copyright Year | 2009 |
| Abstract | Intramolecular isomerisation of the pendant allyl unit present in the model compound [MoH(η 5 -C5H4SiMe2CH2CH=CH2)(CO)3] reported before was investigated by DFT calculations. The coordination of CO and the splitting of the agostic Mo– H interactions found in metallacyclic transition states stabilise the cis and trans hydride compounds [MoH(η 5 -C5H4SiMe2CH=CHCH3)(CO)3] relative to the corresponding tricarbonyl molybdenum alkyl metallacycles. A comparison with an analogous zirconium system is included. To contrast these results with the behaviour of metal hydride cyclopentadienyl compounds, which have no intramolecular alkene functionality, group 4 and 6 derivatives such as [Zr(η 5 C5H4SiMe2-η 1 -NtBu)(η 5 -C5H4SiMe2CH2CH2-η 1 -CH2)] (2), [MH(η 5 -C5HMe4)(CO)3 ][ M =M o (3), W (4)], and [ZrH(η 5 |
| Starting Page | 1514 |
| Ending Page | 1520 |
| Page Count | 7 |
| File Format | PDF HTM / HTML |
| DOI | 10.1002/ejic.200900069 |
| Alternate Webpage(s) | https://ebuah.uah.es/dspace/bitstream/handle/10017/3833/EurJIC09.pdf?isAllowed=y&sequence=1 |
| Alternate Webpage(s) | https://doi.org/10.1002/ejic.200900069 |
| Volume Number | 2009 |
| Language | English |
| Access Restriction | Open |
| Content Type | Text |
| Resource Type | Article |
