Ministerio de Economía y Competitividad (Espanya)
info:eu-repo/date/embargoEnd/2026-01-01
info:eu-repo/date/embargoEnd/2026-01-01
2015-02-23
The activity of silica-supported tungsten carbyne complexes (≡SiO)xW(≡CH)(Me)y (x = 1, y = 2; x = 2, y = 1) toward alkynes is reported. We found that they are efficient precatalysts for terminal alkyne cyclotrimerization with high TONs. We also demonstrate that this catalyst species is active for alkyne cyclotrimerization without the formation of significant alkyne metathesis products. Additional DFT calculations highlight the importance of the W coordination sphere in supporting this experimental behavior
A.P. thanks the Spanish MINECO for a Ramón y Cajal contract (RYC-2009-05226) and the European Commission for a Career Integration Grant (CIG09-GA-2011-293900)
Article
Published version
English
Funcional de densitat, Teoria del; Density functionals; Compostos organometàl·lics; Organometallic compounds; Catalitzadors organometàl·lics; Organometallic catalysts
American Chemical Society (ACS)
info:eu-repo/semantics/altIdentifier/doi/10.1021/om500684e
info:eu-repo/semantics/altIdentifier/issn/0276-7333
info:eu-repo/semantics/altIdentifier/eissn/1520-6041
info:eu-repo/grantAgreement/MICINN//RYC-2009-05226/ES/RYC-2009-05226/
info:eu-repo/grantAgreement/EC/FP7/293900/EU/Ab initio Statics and Molecular Dynamics Simulation of Olefin Metathesis Catalysts for pharmacological purposes/COMPUTEDRUG
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