Thesis Collection
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Browsing by Author "Caballero Bevia, Ana"
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A Quantitative Model for Alkane Nucleophilicity Based on C−H Bond Structural/Topological Descriptors
Besora, María; Olmos Verge, Andrea
; Noverges, Bárbara; Asensio, Gregorio; Caballero Bevia, Ana; Maseras, Feliu; Pérez Romero, Pedro José (Wiley, 2020)
A first quantitative model for calculating the nucleophilicity of alkanes is described. A statistical treatment was applied to the analysis of the reactivity of 29 different alkane C−H bonds towards in situ generated metal ... -
Alkenylboronates : synthesis and applications
Carreras, Javier; Caballero Bevia, Ana; Pérez Romero, Pedro José (Wiley, 2019)
Organoboron compounds have become one of the most versatile building blocks in organic synthesis owing to their accessible and efficient conversion into many different functional groups. In particular, alkenyl boronates ... -
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 ... -
Complejos de Cu (I) con ligandos de tipo homoescorpionato (Tpx) como catalizadores en reacciones de transferencia de carbenos a diferentes sustratos orgánicos : efecto de los ligandos tpx en la quimio-, regio- y diastereoselectividad de las reacciones
Caballero Bevia, Ana (2004)
Esta tesis doctoral se ha dicidido en tres capítulos. El primero está dedicado a la síntesis y caractrización de nuevos complejos de cobre con ligandos de tipo trispirazolilborato, Tpx , obtenidos mediante la reacción de ... -
Copper-Catalyzed Dehydrogenative Amidation of Light Alkanes
Fuentes Domínguez, María Ángeles; Gava, Riccardo; Saper, Noam I.; Romero, Erik A.; Caballero Bevia, Ana; Hartwig, John F.; Pérez Romero, Pedro José (Wiley, 2021-05)
The functionalization of C-H bonds in light alkanes, particularly to form C-N bonds, remains a challenge. We report the dehydrogenative coupling of amides with C1–C4 hydrocarbons to form N-alkyl amide products with tBuOOtBu ... -
Dimensioning the term carbenoid
Caballero Bevia, Ana; Pérez Romero, Pedro José (Wiley, 2017)
The current use of the term carbenoid is discussed, particularly in the context of carbene transfer reactions from diazo compounds, where intermediates of type LnM=CR1R2, or one of its resonance forms, are tagged which ... -
Direct Benzene Hydroxylation with Dioxygen Induced by Copper Complexes: Uncovering the Active Species by DFT Calculations
Borrego, Elena; Tiessler Sala, Laura; Lázaro, Jesús J.; Caballero Bevia, Ana; Pérez Romero, Pedro José; Lledós, Agustí (America Chemical Society, 2022-07-14)
The direct oxidation of benzene into phenol using molecular oxygen at very mild temperatures can be promoted in the presence of the copper complex TpBr3Cu(NCMe) in the homogeneous phase in the presence of ascorbic acid as ... -
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 ... -
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 ... -
Funcionalización catalítica de metano y alcanos ligeros con complejos metálicos del grupo 11
Gava, Riccardo (Universidad de Huelva, 2017)
The main objectives in this Ph. D. Thesis are focused in the development of catalytic systems toward the functionalization of highly inert molecules such as gaseous alkanes (CnH2n+-2, n = 1-4). The reaction employed toward ... -
Gold nanoparticle-catalysed functionalization of carbon-hydrogen bonds by carbene transfer reactions
Martínez Laguna, Jonathan; Mollar Cuni, Andres; Ventura Espinosa, David; Martín, Santiago; Caballero Bevia, Ana; Mata, Jose A.; Pérez Romero, Pedro José (Royal Society of Chemistry, 2022-02-23)
Gold nanoparticles stabilized by NHC ligands and supported onto reduced graphene oxide (rGO) catalyse the functionalization of cyclohexane and benzene C-H bonds upon insertion of carbene CHCO2Et (from N2=CHCO2Et) groups. ... -
Graphene-Supported, Well-Defined Metal-Based Catalysts for C-H Bond Functionalization and Related Reactions
Martínez Laguna, Jonathan; Caballero Bevia, Ana; Pérez Romero, Pedro José (Wiley, 2021-02)
The use of graphenic materials as support for transition metal-based catalysts in reactions involving the functionalization of carbon-hydrogen bonds is reviewed. In many cases, the catalytic activities reported are ... -
Improving Catalyst Activity in Hydrocarbon Functionalization by Remote Pyrene–Graphene Stacking
Ballestin, Pilar; Ventura Espinosa, David; Martín, Santiago; Caballero Bevia, Ana; Mata, José A.; Pérez Romero, Pedro José (Wiley, 2019-04)
A copper complex bearing an N‐heterocyclic carbene ligand with a pyrene “tail” attached to the backbone has been prepared and supported on reduced graphene oxide (rGO). The free and supported copper materials have been ... -
Intermetallic coinage metal-catalyzed functionalization of alkanes with ethyl diazoacetate : gold as a ligand
Fuentes Domínguez, María Ángeles; Rodríguez Castillo, María; Monge, Miguel; Olmos, M. Elena; López de Luzuriaga, José M.; Caballero Bevia, Ana; Pérez Romero, Pedro José (Elsevier, 2011)
The complexes [Au2M2(C6F5)4(NCMe)2]n (M = Cu, 1; M = Ag, 2) have been tested as catalysts for the functionalization of alkanes by the carbene insertion methodology, using ethyl diazoacetate as the carbene source. Moderate ... -
Intramolecular Interception of the Remote Position of Vinylcarbene Silver Complex Intermediates by C(sp3)−H Bond Insertion
Díaz Jiménez, Àlex; Monreal Corona, Roger; Poater, Albert; Álvarez Martínez, María; Borrego, Elena; Pérez Romero, Pedro José; Caballero Bevia, Ana; Roglans, Anna; Pla Quintana, Anna (Wiley, 2022)
The trapping of the elusive vinylogous position of a vinyl carbene with an aliphatic C(sp3)−H bond has been achieved for the first time during a silver-catalyzed carbene/alkyne metathesis (CAM) process. A Tpx-containing ... -
Make It Green: Copper-Catalyzed Olefin Aziridination in Water with an Iminoiodonane
Borrego, Elena; Pérez Romero, Pedro José; Caballero Bevia, Ana (Wiley, 2021)
The copper complex Tp(CF3)2,BrCu(NCMe) efficiently catalyses the aziridination of olefins in water using PhI=NTs as the nitrene source, with identical activity than that observed when using dichloromethane as the solvent, ... -
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 ... -
Mechanism of Side Reactions in Alkane C-H Bond Functionalization by Diazo Compounds Catalyzed by Ag and Cu Homoscorpionate Complexes—A DFT Study
Braga, Ataualpa A. C.; Caballero Bevia, Ana; Urbano Baena, Juan; Díaz Requejo, María Mar; Pérez Romero, Pedro José; Maseras, Feliu (Wiley-VCH Verlag, 2011)
DFT computational methods were applied to the mechanistic study of the formation of fumarate and maleate derivatives in a solution containing alkane, TpBr3M [M=Cu, Ag; TpBr3=hydrotris(3,4,5-tribromopyrazolyl)borate] and ... -
Methane functionalization in water with micellar catalysis
Gava, Riccardo; Ballestin, Pilar; Prieto Cárdenas, María Auxiliadora; Caballero Bevia, Ana; Pérez Romero, Pedro José (Royal Society of Chemistry, 2019-08)
The functionalization of methane in water as the reaction medium (where it is nearly insoluble) at room temperature using micellar catalysis is described. Aggregates are formed from surfactant molecules and act as methane ... -
Micellar Catalysis as a Tool for C-H Bond Functionalization To-ward C-C Bond Formation
Borrego, Elena; Caballero Bevia, Ana; Pérez Romero, Pedro José (American Chemical Society, 2022-11-28)
Micelles generated upon dissolving surfactants in water can be employed as nano-vessels for catalytic transformations, in the so-called micellar catalysis methodology. This review is focused onto the use of micellar ...
