Energetics of the ruthenium-halide bond in olefin metathesis (pre)catalysts
Dalton Transactions, ISSN: 1477-9226, Vol: 42, Issue: 20, Page: 7312-7317
2013
- 33Citations
- 25Captures
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Metrics Details
- Citations33
- Citation Indexes33
- 33
- CrossRef32
- Captures25
- Readers25
- 25
Article Description
A DFT analysis of the strength of the Ru-halide bond in a series of typical olefin metathesis (pre)catalysts is presented. The calculated Ru-halide bond energies span the rather broad window of 25-43 kcal mol. This indicates that in many systems dissociation of the Ru-halide bond is possible and is actually competitive with dissociation of the labile ligand generating the 14e active species. Consequently, formation of cationic Ru species in solution should be considered as a possible event. © 2013 The Royal Society of Chemistry.
Bibliographic Details
http://www.scopus.com/inward/record.url?partnerID=HzOxMe3b&scp=84877308828&origin=inward; http://dx.doi.org/10.1039/c2dt32277c; http://www.ncbi.nlm.nih.gov/pubmed/23235534; http://xlink.rsc.org/?DOI=C2DT32277C; http://pubs.rsc.org/en/content/articlepdf/2013/DT/C2DT32277C; https://xlink.rsc.org/?DOI=C2DT32277C; https://dx.doi.org/10.1039/c2dt32277c; https://pubs.rsc.org/en/content/articlelanding/2013/dt/c2dt32277c
Royal Society of Chemistry (RSC)
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