2026-04-17T19:28:57Zhttps://recercat.cat/oai/request

oai:recercat.cat:10256/86592024-06-18T13:48:18Zcom_2072_452955com_2072_2054col_2072_453073

Coordinatively Unsaturated Ruthenium Complexes As Efficient Alkyne-Azide Cycloaddition Catalysts Lamberti, Marina Fortman, George C. Poater Teixidor, Albert Broggi, Julie Slawin, Alexandra M. Z. Cavallo, Luigi Nolan, Steven P. Ministerio de Ciencia e Innovación (Espanya) Ruteni -- Compostos Ruthenium compounds Catalitzadors Catalysts Metàtesi (Química) Metathesis (Chemistry) Ciclització (Química) Ring formation (Chemistry) The performance of 16-electron ruthenium complexes with the general formula Cp*Ru(L)X (in which L = phosphine or N-heterocyclic carbene ligand; X = Cl or OCH2CF3) was explored in azide-alkyne cycloaddition reactions that afford the 1,2,3-triazole products. The scope of the Cp*Ru((PPr3)-Pr-i)Cl precatalyst was investigated for terminal alkynes leading to new 1,5-disubstituted 1,2,3-triazoles in high yields. Mechanistic studies were conducted and revealed a number of proposed intermediates. Cp*Ru((PPr3)-Pr-i)(eta(2)-HCCPh)Cl was observed and characterized by H-1, C-13, and P-31 NMR at temperatures between 273 and 213 K. A rare example of N,N-kappa(2)-phosphazide complex, Cp*Ru(kappa(2)-(Pr3PN3Bn)-Pr-i)Cl, was fully characterized, and a single-crystal X-ray diffraction structure was obtained. DFT calculations describe a complete map of the catalytic reactivity with phenylacetylene and/or benzylazide S.P.N. would like to thank the ERC (Advanced Researcher Award FUNCAT) for financial support. A.P. thanks the Spanish MICINN for a Ramon y Cajal contract (ref RYC-2009-05226) and the European Commission for a Career Integration Grant (CIG09-GA-2011-293900) info:eu-repo/date/embargoEnd/2026-01-01 info:eu-repo/date/embargoEnd/2026-01-01 2012 info:eu-repo/semantics/article info:eu-repo/semantics/publishedVersion http://hdl.handle.net/10256/8659 http://hdl.handle.net/10256/8659 eng info:eu-repo/semantics/altIdentifier/doi/10.1021/om2012425 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 Tots els drets reservats info:eu-repo/semantics/embargoedAccess application/pdf American Chemical Society © Organometallics, 2012, vol. 31, núm. 2, p. 756-767 Articles publicats (D-Q)