Comparing Ru and Fe-catalyzed olefin metathesis

​
orcId Poater Teixidor, Albert​ researcherId Poater Teixidor, Albert​ scopusId Poater Teixidor, Albert​ ​
Poater Teixidor, Albert
​ ​ ​ ​
Vummaleti, Sai Vikrama Chaitanya
​ ​ ​ ​
Pump, Eva
​ ​ ​ ​
Cavallo, Luigi
Full Text
ComparingRuFe.pdf embargoed access ​
Request a copy
Request a copy
When filling the form you are requesting a copy of the article, that is deposited in the institutional repository (DUGiDocs), at the autor or main autor of the article. It will be the same author who decides to give a copy of the document to the person who requests it, if it considers it appropriate. In any case, the UdG Library doesn’t take part in this process because it is not authorized to provide restricted articles.
​
Share
​
Density functional theory calculations have been used to explore the potential of Fe-based complexes with an N-heterocyclic carbene ligand, as olefin metathesis catalysts. Apart from a less endothermic reaction energy profile, a small reduction in the predicted upper energy barriers (≈ 2 kcal mol -1) is calculated in the Fe catalyzed profile with respect to the Ru catalysed profile. Overall, this study indicates that Fe-based catalysts have the potential to be very effective olefin metathesis catalysts ​
​Tots els drets reservats
Show full item record