• Favoring alkane primary carbon-hydrogen bond functionalization in supercritical carbon dioxide as reaction medium 

  Sarmiento, Jeymy T.; Olmos Verge, Andrea; Rodríguez Belderraín, Tomás; Caballero Bevia, Ana; Varea, Teresa; Pérez Romero, Pedro José; Asensio, Gregorio (American Chemical Society, 2019)

  The selectivity of a catalytic alkane functionalization process can be modified just changing the reaction medium from neat alkane to supercritical carbon dioxide (scCO2). A silica supported copper complex bearing an ...

  

• Trispyrazolylborate Ligands Supported on Vinyl Addition Polynorbornenes and Their Copper Derivatives as Recyclable Catalysts 

  Molina de la Rorre, Jesús A.; Pérez Ortega, Ignacio; Beltrán Martín, Álvaro; Rodríguez, Manuel R.; Díaz Requejo, María Mar; Pérez Romero, Pedro José; Albéniz, Ana C. (Wiley, 2019)

  Polynorbornenes prepared by vinyl addition polymerization and bearing pendant alkenyl groups serve as skeletons to support trispyrazolylborate ligands (Tp(x)) built at those alkenyl sites. Reaction with CuI in acetonitrile ...

  

• Measuring the Relative Reactivity of the Carbon-Hydrogen Bonds of Alkanes as Nucleophiles 

  Olmos Verge, Andrea; Gava, Riccardo; Caballero Bevia, Ana; Pérez Romero, Pedro José (Wiley, 2018)

  We report quantitative measurements of the relative reactivities of a series of C-H bonds of gaseous or liquid CnH2n+2 alkanes (n = 1-8, 29 different C-H bonds) towards insitu generated electrophiles (copper, silver, and ...

  

• Catalytic Functionalization of C-H Bonds of Azulene by Carbene/Nitrene Incorporation 

  Carreras, Javier; Popowski, Yanay; Caballero Bevia, Ana; Amir, Elizabeth; Pérez Romero, Pedro José (American Chemical Society, 2018)

  The selective catalytic functionalization of the C-H bond of azulene upon incorporation of carbene or nitrene units with metal-based catalysts is described. Ethyl diazoacetate or ArI=NTs are employed as carbene or nitrene ...

  

• Multigram Synthesis of Thallium Trispyrazolylborate Compounds 

  Olmos Verge, Andrea; Pereira Pérez, Ana; Rodríguez Belderraín, Tomás; Pérez Romero, Pedro José (Thieme Publishing, 2018)

  A multigram method for the preparation of thallium trispyrazolylborate complexes is described.

  

• Mechanism of the Selective Fe-Catalyzed Arene Carbon-Hydrogen Bond Functionalization 

  Postils, Verònica; Rodríguez, Mònica; Sabenya, Gerard; Conde Alcántara, Ana Isabel; Díaz Requejo, María Mar; Pérez Romero, Pedro José; Costas, Miquel; Solà, Miquel; Luis, Josep M. (American Chemical Society, 2018)

  The complete chemoselective functionalization of aromatic C(sp(2))-H bonds of benzene and alkyl benzenes by carbene insertion from ethyl diazoacetate was unknown until the recent discovery of an iron-based catalytic system ...

  

• Enantio‐ and Diastereoselective Cyclopropanation of 1‐Alkenylboronates : Synthesis of 1‐Boryl‐2,3‐Disubstituted Cyclopropanes 

  Carreras, Javier; Caballero Bevia, Ana; Pérez Romero, Pedro José (Wiley, 2018)

  A novel, highly enantio- and diastereoselective synthesis of 1-boryl-2,3-disubstituted cyclopropanes has been developed by means of the cyclopropanation of alkenylboronates with ethyl diazoacetate in the presence of ...

  

• Copper(I)-Arene Complexes with a Sterically Hindered Tris(pyrazolyl)borate Ligand 

  Álvarez, María; Urbano Baena, Juan; Romero Fructos-Vázquez, Manuel; Álvarez, Eleuterio; Pérez Romero, Pedro José (Wiley-VCH Verlag, 2018)

  A series of arene copper(I) complexes bearing the hydrotris(3-mesitylpyrazolyl)borate ligand (Tp(Ms)) of general formula Tp(Ms)Cu(arene) (arene = toluene, 1; nitrobenzene, 2; chlorobenzene, 3; and iodobenzene, 4) has been ...

  

• Gold-catalyzed ethylene cyclopropanation 

  Rull, Silvia G.; Olmos Verge, Andrea; Pérez Romero, Pedro José (Beilstein-Institut, 2019)

  Ethylene can be directly converted into ethyl 1-cyclopropylcarboxylate upon reaction with ethyl diazoacetate (N2CHCO2Et, EDA) in the presence of catalytic amounts of IPrAuCl/NaBAr4F (IPr = 1,3-bis(2,6-diisopropylphenyl)i ...

  

• Discrete Cu(I) complexes for azide–alkyne annulations of small molecules inside mammalian cells 

  Miguel Ávila, Joan; Tomás Gamasa, María; Olmos Verge, Andrea; Pérez Romero, Pedro José; Mascareñas, José L. (Royal Society of Chemistry, 2018)

  The archetype reaction of “click” chemistry, namely, the copper-promoted azide–alkyne cycloaddition (CuAAC), has found an impressive number of applications in biological chemistry. However, methods for promoting intermolecular ...

  

• A competing, dual mechanism for catalytic direct benzene hydroxylation from combined experimental-DFT studies 

  Vilella, Laia; Conde Alcántara, Ana Isabel; Ballcells, David; Díaz Requejo, María Mar; Lledós, Agustín; Pérez Romero, Pedro José (Royal Society of Chemistry, 2017)

  A dual mechanism for direct benzene catalytic hydroxylation is described. Experimental studies and DFT calculations have provided a mechanistic explanation for the acid-free, TpxCu-catalyzed hydroxylation of benzene with ...

  

• Experimental and theoretical evidence of zinc structurally bound in vermiculite from naturally metal-enriched soils 

  Fernández Caliani, Juan Carlos; Timón, V.; Rivera Cantero, María Belén; Giráldez Díaz, Inmaculada; Pérez López, Rafael (Mineralogical Society, 2013)

  This paper provides evidence of appreciable amounts of Zn (up to 0.52 a.p.f.u.) residing in the crystal structure of trioctahedral vermiculite; the results were obtained by a combination of experimental methods (X-ray ...

  

• Drug delivery by controlling a supramolecular host–guest assembly with a reversible photoswitch 

  Basílio, Nuno; Pischel, Uwe (Wiley, 2016)

  The reversibly switchable trans‐chalcone/flavylium photochromic system was successfully coupled to the complexation equilibrium of a drug‐cucurbit[7]uril host–guest assembly. Hence, the phototriggered release of memantine ...

  

• Red-emitting tetracoordinate organoboron chelates : synthesis, photophysical properties, and fluorescence microscopy 

  Fernandes Pais, Vânia Cristina; Ramírez López, Pedro; Romero Arenas, Antonio; Collado, Daniel; Nájera, Francisco; Pérez Inestrosa, Ezequiel; Fernández, Rosario; Lassaletta, José M.; Ros, Abel; Pischel, Uwe (American Chemical Society, 2016)

  Seven tetra-coordinate organoboron fluorophores with hetero-biaryl N,O or N,N chelate ligands were prepared and photophysically characterized (in toluene). The electronic variation of the heteroaromatic moiety provided a ...

  

• Strongly Emissive and Photostable Four‐Coordinate Organoboron N,C Chelates and Their Use in Fluorescence Microscopy 

  Fernandes Pais, Vânia Cristina; Alcaide, María M.; Pischel, Uwe (Wiley, 2015)

  Six strongly fluorescent four-coordinate organoboron N,C chelates containing an aryl isoquinoline skeleton were prepared. Remarkably, the fluorescence quantum yields reach values of up to 0.74 in oxygen-free toluene. The ...

  

• Phototriggered release of amine from a cucurbituril macrocycle 

  Vázquez, J.; Romero, M.A.; Dsouza, R. N.; Pischel, Uwe (Royal Society of Chemistry, 2016)

  A method for the phototriggered release of a biogenic amine from the host–guest complex with the cucurbit[7]uril macrocycle in aqueous solution was devised. The approach exploits a photoinduced pH jump from 8 to 5, combined ...

  

• Five-Component Self-Assembly of Cucurbituril-Based Hetero-pseudorotaxanes 

  Parente Caldeira Carvahlo, Cátia Diana; Domínguez Hidalgo, Zoe; Domínguez Linares, Cristina; El- Sheshtawy, Hamdy S.; Da Silva, José Paulo; Fernández Arteaga, Jesús; Pischel, Uwe (Wiley Open Access, 2017)

  [5]Pseudorotaxanes can be obtained by self-sorting using heteroditopic guests and various cucurbituril homologues as hosts. The assembly and chemically induced disassembly of the pseudorotaxanes can be monitored by measuring ...

  

• Easy Access to a Cyclic Key Intermediate for the Synthesis of Trisporic Acids and Related Compounds 

  González Delgado, José Ángel; Escobar, Gustavo; Fernández Arteaga, Jesús; Barrero, Alejandro F. (MDPI, 2014)

  The synthesis of a cyclohexane skeleton possessing different oxygenated functional groups at C–3, C–8 and C–9, and a 1,6-double bond has been accomplished in 10 steps with an overall 17% yield. This compound is a key ...

  

• A fully recyclable heterogenized Cu catalyst for the general carbene transfer reaction in batch and flow 

  Maestre Cera, Lourdes; Ozkal, Erhan; Ayats, Carles; Beltrán Martín, Álvaro; Díaz Requejo, María Mar; Pérez Romero, Pedro José; Pericàs, Miquel A. (Royal Society of Chemistry, 2015)

  A polystyrene-linked tris(triazolyl)methanecopper(I) cationic catalyst operates under heterogeneous conditions for the reaction of ethyl diazoacetate (EDA) with an array of substrates. Carbon–hydrogen as well as X–H (X ...

  

• On interfacial properties of tetrahydrofuran : atomistic and coarse-grained models from molecular dynamics simulation 

  Garrido, J. M.; Algaba Fernández, Jesús; Míguez, J. M.; Mendiboure, B.; Moreno-Ventas Bravo, Ignacio; Piñeiro, M. M.; Jiménez Blas, Felipe (AIP Publishing, 2016)

  We have determined the interfacial properties of tetrahydrofuran (THF) from direct simulation of the vapor-liquid interface. The molecules are modeled using six di↵erent molecular models, three of them based on the ...

  

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