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Oxidovanadium(IV) sulfate catalyses light-driven C-N bond formation
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Gaspa, Silvia (Università di Sassari. Dipartimento di Scienze Chimiche) ;
Sciortino, Giuseppe (Institut d'Investigacions Químiques de Catalunya) ;
Porcheddu, Andrea (Università degli Studi di Cagliari) ;
Dell'Osa, Chiara (Università di Sassari. Dipartimento di Scienze Chimiche) ;
Satta, Giuseppe (Università di Sassari. Dipartimento di Scienze Chimiche) ;
Azzena, Ugo (Università di Sassari. Dipartimento di Scienze Chimiche) ;
Pisano, Luisa (Università di Sassari. Dipartimento di Scienze Chimiche) ;
Carraro, Massimo (Università di Sassari. Dipartimento di Scienze Chimiche) ;
Sanna, Daniele (Istituto CNR di Chimica Biomolecolare) ;
Garribba, Eugenio (Università di Sassari. Dipartimento di Medicina, Chirurgia e Farmacia) ;
Maseras Cuní, Feliu (Institut d'Investigacions Químiques de Catalunya) ;
De Luca, Lidia (Università di Sassari. Dipartimento di Scienze Chimiche)
Oxidovanadium(IV) sulfate, VIVOSO4, is shown to catalyze efficiently the amidation of the C-H bond of aldehydes by N-chloramine derivatives for the selective synthesis of amides. The catalytic process is driven by visible light irradiation at room temperature, and the reaction is carried out in ethyl acetate, a green and bio-based solvent. [...]
2023 -  10.1016/j.mcat.2023.113054
Molecular Catalysis, Vol. 541 (April 2023) , art. 113054
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Introducing 1,3-enyne functionalization by nitrene transfer reaction
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Rodríguez, Anabel M. (Universidad de Huelva. Departamento de Química) ;
Sciortino, Giuseppe (Institut d'Investigacions Químiques de Catalunya) ;
Muñoz-Gutierrez, Lidia (Institut d'Investigacions Químiques de Catalunya) ;
Molina, Francisco (Universidad de Huelva. Departamento de Química) ;
Maseras Cuní, Feliu (Institut d'Investigacions Químiques de Catalunya) ;
Díaz-Requejo, M. Mar (Universidad de Huelva. Departamento de Química) ;
Pérez, Pedro J. (Universidad de Huelva. Departamento de Química)
In the context of carbon-nitrogen bond formation, metal-catalyzed nitrene transfer reactions constitute a powerful transformation. While many saturated and unsaturated substrates can be modified with this strategy, the incorporation of nitrene into enynes yet remains undescribed. [...]
2024 - 10.1016/j.checat.2023.100865
Chem Catalysis, Vol. 4, Issue 1 (January 2024) , art. 100865
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23 p, 339.4 KB |
Calculation of Reaction Free Energies in Solution : A Comparison of Current Approaches
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Besora, Maria (Institut Català d'Investigació Química) ;
Vidossich, Pietro (Universitat Autònoma de Barcelona. Departament de Química) ;
Lledós, Agustí (Universitat Autònoma de Barcelona. Departament de Química) ;
Ujaque Pérez, Gregori (Universitat Autònoma de Barcelona. Departament de Química) ;
Maseras Cuní, Feliu (Universitat Autònoma de Barcelona. Departament de Química)
The result of the application of different approaches based on the ideal gas/rigid rotor/harmonic oscillator (IGRRHO) model, commonly used in popular software packages, for the calculation of free energies in solution is compared with that of ab initio molecular dynamics for a process involving ligand exchange in palladium complexes. [...]
2018 - 10.1021/acs.jpca.7b11580
Journal of Physical Chemistry A, Vol. 122, Issue 5 (February 2018) , p. 1392-1399
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7 p, 2.1 MB |
Two Copper-Carbenes from One Diazo Compound
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Álvarez, María (Universidad de Huelva) ;
Besora, Maria (Universitat Rovira i Virgili) ;
Molina, Francisco (Universidad de Huelva) ;
Maseras Cuní, Feliu (Universitat Autònoma de Barcelona. Departament de Química) ;
Belderrain, Tomás R. (Universidad de Huelva) ;
Pérez, Pedro J. (Universidad de Huelva)
Many transition-metal complexes ML decompose diazo compounds N=CR 1 R 2 generating metal-carbenes LM=CR 1 R 2 which transfer the carbene group to other substrates, constituting an important tool in organic synthesis. [...]
2021 - 10.1021/jacs.1c01483
Journal of the American Chemical Society, Vol. 143 (March 2021) , p. 4837-4843
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8 p, 915.5 KB |
A DFT-based mechanistic proposal for the light-driven insertion of dioxygen into Pt(II)-C bonds
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Fernández-Alvarez, Victor M. (Institut Català d'Investigació Química) ;
Ho, Sarah K. Y. (Imperial College London. Department of Chemistry) ;
Britovsek, George J. P. (Imperial College London. Department of Chemistry) ;
Maseras Cuní, Feliu (Universitat Autònoma de Barcelona. Departament de Química)
The photocatalyzed insertion of dioxygen into the Pt(II)-methyl bond in terpyridine platinum complexes has been shown to proceed efficiently, but its mechanism remains a challenge. In particular, there are serious counter-intuitive differences in the reactivity of structurally similar complexes. [...]
2018 - 10.1039/C8SC01161C
Chemical science, Vol. 9, Issue 22 (June 2018) , p. 5039-5046
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Accelerated Ru-Cu Trinuclear Cooperative C−H Bond Functionalization of Carbazoles : A Kinetic and Computational Investigation
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Jones, Alexander W. (Technische Universität Kaiserslautern. Fachbereich Chemie) ;
Rank, Christian K. (Technische Universität Kaiserslautern. Fachbereich Chemie) ;
Becker, Yanik (Technische Universität Kaiserslautern. Fachbereich Chemie) ;
Malchau, Christian (Technische Universität Kaiserslautern. Fachbereich Chemie) ;
Funes-Ardoiz, Ignacio (Institut Català d'Investigació Química) ;
Maseras Cuní, Feliu (Universitat Autònoma de Barcelona. Departament de Química) ;
Patureau, Frederic W. (Technische Universität Kaiserslautern. Fachbereich Chemie)
The mechanism of a trinuclear cooperative dehydrogenative C−N bond-forming reaction is investigated in this work, which avoids the use of chelate-assisting directing groups. Two new highly efficient Ru/Cu co-catalyzed systems were identified, allowing orders of magnitude greater TOFs than the previous state of the art. [...]
2018 - 10.1002/chem.201802886
Chemistry, Vol. 24, Issue 57 (October 2018) , p. 15178-15184
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