Annual Scientific Report 2015

Trifluoromethylation and Pentafluoroethylation of Vinylic Halides with Low-Cost RfH-Derived CuRf (Rf = CF3, C2F5)
Lishchynskyi, Z. Mazloomi, V. V. Grushin
Synlett, 2015, 25, 45-50

Sequence-selective DNA binding with cell-permeable oligoguanidinium-peptide conjugates 
Mosquera, M. I. Sánchez, J. Valero, J. de Mendoza, E. Vázquez, J. L. Mascareñas
Chem. Commun., 2015, 51, 4811-4814

Palladium catalyzed oxidative carbonylation of alcohols: effects of diphosphine ligands
Amadio, Z. Freixa, P. W. N. M. van Leeuwen, L. Toniolo
Catal. Sci. Technol., 2015, 5, 2856-2864 

A Mild Carbon-Boron Bond Formation from Diaryliodonium Salts
Fernández, K. Muñiz, N. Miralles, M. Romero
Chem. Commun., 2015, 51, 14068-14071

Easy Access to the Copper(III) Anion [Cu(CF3)4]-
M. Romine, N. Nebra, A. I. Konovalov, E. Martin, J. Benet-Buchholz, V. V. Grushin
Angew. Chem. Int. Ed., 2015, 54, 2745-2749 

Polystyrene-supported chiral Brønsted acids for the catalytic production of enantiopure compounds in continuous flow
Rodríguez-Escrich
Chimica Oggi-Chemistry Today, 2015, 33, 12-15

Palladium Catalyzed Diaryl Sulfoxide Generation from Aryl Benzyl Sulfoxides and Aryl Chlorides
Jia, M. Zhang, I. Sagamanova, C. Y. Wang, P. J. Walsh
Org. Lett., 2015, 17, 1168-1171

Well-Defined CuC₂F₅ Complexes and Pentafluoroethylation of Acid Chlorides
I. Panferova, F. M. Miloserdov, A. Lishchynskyi, M. Martínez Belmonte, J. Benet-Buchholz, V. V. Grushin
Angew. Chem. Int. Ed., 2015, 54, 5218-5222

Modulation of Active Sites in Supported Au₃₈(SC₂H₄Ph)₂₄ Cluster Catalysts: Effect of Atmosphere and Support Material
Zhang, S. Kaziz, H. Li, M. G. Hevia, D. Woodka, C. Mazet, T. Bürgi, N. Barrabés
Phys. Chem. C, 2015, 119, 11193-11199

C-H benzylic oxidation promoted by dinuclear iron DBDOC iminopyridine complexes
Martínez-Ferraté, G. J. P. Britovsek, C. Claver, P. W. N. M. van Leeuwen
Inorg. Chim. Acta, 2015, 431, 156-160

Exceedingly Facile Ph-X Activation (X=Cl, Br, I) with Ruthenium(II): Arresting Kinetics, Autocatalysis, and Mechanisms
M. Miloserdov, D. McKay, B. K. Muñoz, H. Samouei, S. A. Macgregor, V. V. Grushin
Angew. Chem. Int. Ed., 2015, 54, 8466-8470

Nickel-Containing Keggin-Type Polyoxometalates as Hydrogen Evolution Catalysts: Photochemical Structure–Activity Relationships
von Allmen, R. Moré, R. Müller, J. Soriano-López, A. Linden, G. R. Patzke
ChemPlusChem, 2015, 80, 1389-1398

Ruthenium-catalyzed nucleophilic fluorination of halobenzenes
I. Konovalov, E. O. Gorbacheva, F. M. Miloserdov, V. V. Grushin
Chem. Commun., 2015, 51, 13527-13530

Phosphino-amine (PN) Ligands for Rapid Catalyst Discovery in Ruthenium-Catalyzed Hydrogen-Borrowing Alkylation of Anilines: A Proof of Principle
M. Broomfield, Y. Wu, E. Martin, A. Shafir
Adv. Synth. Catal., 2015, 357, 3538-3548

The Trifluoromethyl Anion
Lishchynskyi, F. M. Miloserdov, E. Martin, J. Benet-Buchholz, E. C. Escudero-Adán, A. I. Konovalov, V. V. Grushin
Angew. Chem. Int. Ed., 2015, 54, 15289-15293

Hypervalent Activation as a Key Step for Dehydrogenative ortho C-C Coupling of Iodoarenes
Wu, I. Arenas, L. M. Broomfield, E. Martin, A. Shafir
Chem. Eur. J., 2015, 21, 18779-18784

Unexpected Squaramide-Induced Cleavage of Benzils: Synthesis and Characterization of Mono-Aroyl Squarimides
Sanna, C. López, P. Ballester, C. Rotger, A. Costa
Eur. J. Org. Chem., 2015, 7656-7660

Resolving the Magnetic Asymmetry of the Inner Space in Self-assembled Dimeric Capsules Based on Tetraurea-calix[4]pyrrole Components
Espelt, G. Aragay, P. Ballester
Chimia, 2015, 69, 652-658

Synthesis, X-ray characterization and DFT studies of N-benzimidazolyl-pyrimidine-M(II) complexes (M = Cu, Co and Ni): the prominent role of π-hole and anion-π interactions
Cañellas, A. Bauzá, A. Lancho, A. García-RAso, J. J. Fiol, E. Molins, P. Ballester, A. Frontera
CrystEngComm, 2015, 17, 5987-5997

Metal-Free Intermolecular Azide-Alkyne Cycloaddition Promoted by Glycerol
Rodríguez-Rodríguez, E. Gras, M. A. Pericàs, M. Gómez
Chem. Eur. J., 2015, 21, 18706-18710

Single Site Isomeric Ru WOCs with an Electron-Withdrawing Group: Synthesis, Electrochemical Characterization, and Reactivity
Mognon, J. Benet-Buchholz, A. Llobet
Inorg. Chem., 2015, 54, 11948-11957

Organic sensitizers bearing a trialkylsilyl ether group for liquid dye sensitized solar cells
Pérez-Tejada, N. Martínez de Baroja, S. Franco, L. Pellejà, J. Orduna, R. Andreu, J. Garín
Dyes and Pigments, 2015, 123, 293-303

Asymmetric Hydroformylation of Heterocyclic Olefins Mediated by Supramolecularly Regulated Rhodium-Bisphosphite Complexes
Rovira, M. Vaquero, A. Vidal-Ferran
Org. Chem., 2015, 80, 10397-10403

Water-Soluble Gold Nanoparticles: From Catalytic Selective Nitroarene Reduction in Water to Regractive Index Sensing
Guo, R. Pleixats, A. Shafir
Chem. Asian J., 2015, 10, 2437-2443

The Active Molybdenum Oxide Phase in the Methanol Oxidation to Formaldehyde (Formox Process): A DFT Study
Rellán-Piñeiro, N. López
ChemSusChem, 2015, 8, 2231-2239

Metal–Organic Framework (MOF) Defects under Control: Insights into the Missing Linker Sites and Their Implication in the Reactivity of Zirconium-Based Frameworks
V. Gutov, M. González Hevia, E. C. Escudero-Adán, A. Shafir
Inorg. Chem., 2015, 54, 8396-8400

Functionalization of CnH2n-2 Alkanes: Supercritical Carbon Dioxide Enhances the Reactivity towards Primary Carbon-Hydrogen Bonds
Gava, A. Olmos, B. Noverges, T. Varea, I. Funez-Ardoiz, T. R. Belderrain, A. Caballero, F. Maseras, G. Asensio, P. J. Pérez
ChemCatChem, 2015, 7, 3254-3260

Origins of observed reactivity and specificity in the addition of B2Cl4 and analogues to unsaturated compounds
Pubill-Ulldemolins, E. Fernández, C. Bo, J. M. Brown
Org. Biomol. Chem., 2015, 13, 9619-9628

Ynones Merge Activation/Conjugate Addition of Chalcogenoborates ArE-Bpin (E=Se, S)
G. Civit, X. Sanz, C. M. Vogels, C. Bo, S. A. Wescott, E. Fernandez
Adv. Synth. Catal., 2015, 357, 3098-3103

The mechanism of CO2 hydration: a porous metal oxide nanocapsule catalyst can mimic the biological carbonic anhydrase role
A. G. Bandeira, S. Garai, A. Müller, C. Bo
Chem. Commun., 2015, 51, 15596-15599

Ordered co-encapsulation of chloride with polar neutral guests in a tetraurea calix[4]pyrrole dimeric capsule
Galán, V. Valderrey, P. Ballester
Chem. Sci., 2015, 6, 6325-6333

Solvent Annealing Control of Bulk Heterojunction Organic Solar Cells with 6.6% Efficiency Based on a Benzodithiophene Donor Core and Dicyano Acceptor Units
V. Kumar, L. Cabau, A. Viterisi, S. Biswas, G. D. Sharma, E. Palomares
Phys. Chem. C, 2015, 119, 20871-20879

Diarylamino-substituted tetraarylethene (TAE) as an efficient and robust hole transport material for 11% methyl ammonium lead iodide perovskite solar cells
Cabau, I. García-Benito, A. Molina-Ontoria, N. F. Montcada, N. Martin, A. Vidal-Ferran, E. Palomares
Chem. Commun., 2015, 51, 13980-13982

A Porphyrin Coordination Cage Assembled from Four Silver(I) Triazolyl-Pyridine Complexes
Ballester, M. Claudel, S. Durot, L. Kocher, L. Schoepff, V. Heitz
Chem. Eur. J., 2015, 21, 15339-15348

Ln12-Containing 60-Tungstogermanates: Synthesis, Structure, Luminescence, and Magnetic Studies
Y. Wang, B. S. Bassil, Z. Lin, I. Römer, S. Vanhaecht, T. N. Parac-Vogt, C. Sáenz de Pipaón, J. R. Galán-Mascarós, L. Fan, J. Cao, U. Kortz
Chem. Eur. J., 2015, 21, 18168-18176

Reversible Light-Controlled Cargo Release in Hydrogen-Bonded Dimeric Capsules
A. Arroyave, P. Ballester
Org. Chem., 2015, 80, 10866-10873

Copolymerization of CO2 and Cyclohexene Oxide Mediated by Yb(salen)-Based Complexes
Decortes, R. M. Haak, C. Martín, M. Martínez Belmonte, E. Martin, J. Benet-Buchholz, A. W. Kleij
Macromolecules, 2015, 48, 8197-8207

Efficient Light-Driven Water Oxidation Catalysis by Dinuclear Ruthenium Complexes
Berardi, L. Francàs, S. Neudeck, S. Maji, J. Benet-Buchholz, F. Meyer, A. Llobet
ChemSusChem, 2015, 8, 3688-3696 

Design, fabrication and charge recombination analysis of an interdigitated heterojunction nanomorphology in P3HT/PC70BM solar cells
S. Balderrama, J. Albero, P. Granero, J. Ferré-Borrull, J. Pallarés, E. Palomares, L. F. Marsal
Nanoscale, 2015, 7, 13848-13859

Synthesis of triarylmethanols via tandem arylation/oxidation of diarylmethanes
Mao, K. Eberle, J. Zhang, C. Rodríguez-Escrich, Z. Xi, M. A. Pericàs, P. J. Walsh
Tetrahedron Letters, 2015, 56, 3604-3607

Clickable complexing agents: functional crown ethers for immobilisation onto polymers and magnetic nanoparticles
Mendoza, S. Jansat, R. Vilar, M. A. Pericàs
RSC Adv., 2015, 5, 87352-87363

The influence of the mesoporous TiO2 scaffold on the performance of methyl ammonium lead iodide (MAPI) perovskite solar cells: charge injection, charge recombination and solar cell efficiency relationship
Matas Adams, J. M. Marin-Beloqui, G. Stoica, E. Palomares
Mater. Chem. A, 2015, 3, 22154-22161

A crystalline sponge based on dispersive forces suitable for X-ray structure determination of included molecular guests
Sanna, E. C. Escudero-Adán, A. Bauzá, P. Ballester, A. Frontera, C. Rotger, A. Costa
Chem. Sci., 2015, 6, 5466-5472

Aluminium-Catalysed Oxazolidinone Synthesis and their Conversion into Functional Non-Symmetrical Ureas
Laserna. W. Guo. A. W. Kleij
Adv. Synth. Catal., 2015, 357, 2849-2854

Highly Efficient Organocatalyzed Conversion of Oxiranes and CO2 into Organic Carbonates
Sopeña, G. Fiorani, C. Martín, A. W. Kleij
ChemSusChem, 2015, 8, 3248-3254

Ni-Catalyzed Borylation of Aryl Fluorides via C-F Cleavage
X.-W. Liu, J. Echavarren, C. Zarate, R. Martin
Am. Chem. Soc., 2015, 137, 12470-12473

Descriptor Analysis in Methanol Conversion on Doped CeO2(111): Guidelines for Selectivity Tuning
Capdevila-Cortada, N. López
ACS Catal., 2015, 5, 6473-6480

Gold(I)-Catalyzed Activation of Alkynes for the Construction of Molecular Complexity
Dorel, A. M. Echavarren
Chem. Rev., 2015, 115, 9028-9072

Rational and Statistical Approaches in Enhancing the Yield of Ethylene Carbonate in Urea Transesterification with Ethylene Glycol over Metal Oxides
Fakhrnasova, R. J. Chimentão, F. Medina, A. Urakawa
ACS Catal., 2015, 5, 6284-6295

Cellular Antisense Activity of PNA-Oligo(bicycloguanidinium) Conjugates Forming Self-Assembled Nanoaggregates
Valero, T. Shiraishi, J. de Mendoza, P. E. Nielsen
ChemBioChem, 2015, 16, 1593-1600

Translating the Enantioselective Michael Reaction to a Continuous Flow Paradigm with an Immobilized, Fluorinated Organocatalyst
Sagamanova, C. Rodríguez-Escrich, I. Gábor Molnár, S. Sayalero, R. Gilmour, M. A. Pericàs
ACS Catal., 2015, 5, 6241-6248

A Metal-free Synthesis of N-Aryl Carbamates under Ambient Conditions
Guo, J. González-Fabra, N. A. G. Bandeira, C. Bo, A. W. Kleij
Angew. Chem. Int. Ed., 2015, 54, 11686-11690

Easy Excited-State Trapping and Record High T(TIESST) in a Spin-Crossover Polyanionic Fe(II) Trimer
Gómez, C. Sáenz de Pipaón, P. Maldonado-Illescas, J. Carlos Waerenborgh, E. Martin, J. Benet-Buchholz, J. R. Galán-Mascarós
Am. Chem. Soc., 2015, 137, 11924-11927

Enantioselective α-amination of 1,3-dicarbonyl compounds in batch and flow with immobilized thiourea organocatalysts
Kasaplar, E. Ozkal, C. Rodríguez-Escrich, M. A. Pericàs
Green Chem., 2015, 17, 3122-3129

Visible Light-Driven Atom Transfer Radical Addition to Olefins using Bi2O3 as Photocatalyst
Riente, M. A. Pericàs
ChemSusChem, 2015, 8, 1841-1844

Quantification of CH-π Interactions Using Calix[4]pyrrole Receptors as Model Systems
Aragay, D. Hernández, B. Verdejo, E. C. Escudero-Adán, M. Martínez, P. Ballester
Molecules, 2015, 20, 16672-16686

Intramolecular Proton Transfer Boosts Water Oxidation Catalyzed by a Ru Complex
Matheu, M. Z. Ertem, J. Benet-Buchholz, E. Coronado, V. S. Batista, X. Sala, A. Llobet
Am. Chem. Soc., 2015, 137, 10786-10795

H2 generation and sulfide to sulfoxide oxidation with H2O and sunlight with a model photoelectrosynthesis cell
Farràs, C. Di Giovanni, J. N. Clifford, E. Palomares, A. Llobet
Coordination Chemistry Reviews, 2015, 304-305, 202-208

Substrate Activation in the Catalytic Asymmetric Hydrogenation of N-Heteroarenes
Balakrishna, J. L. Núñez-Rico, A. Vidal-Ferran
Eur. J. Org. Chem., 2015, 5293-5303

A Stable Single-Site Palladium Catalyst for Hydrogenations
Vilé, D. Albani, M. Nachtegaal, Z. Chen, D. Dontsova, M. Antonietti, N. López, J. Pérez- Ramírez
Angew. Chem. Int. Ed., 2015, 54, 11265-11269

Reconciling Experiment and Theory in the Use of Aryl-Extended Calix[4]pyrrole Receptors for the Experimental Quantification of Chloride-π Interactions in Solution
Bauzá, D. Quiñonero, A. Frontera, P. Ballester
Int. J. Mol. Sci., 2015, 16, 8934-8948

Unexpected Emission Properties of a 1,8-Naphthalimide Unit Covalently Appended to a Zn-Salophen
Piccino, G. Aragay, F. Y. Mihan, P. Ballester, A. D. Cort
Eur. J. Inorg. Chem., 2015, 2664-2670

Hydrogen Bonded Squaramide-Based Foldable Module Induces Both β- and α-Turns in Hairpin Structures of α-Peptides is Water
Martínez, G. Martorell, A. Sampedro, P. Ballester, A. Costa, C. Rotger
Org. Lett., 2015, 17, 2980-2983

Hydrogenative Kinetic Resolution of Vinyl Sulfoxides
R. Lao, H. Fernández-Pérez, A. Vidal-Ferran
Org. Lett., 2015, 17, 4114-4117

Supramolecularly Regulated Ligands for Asymmetric Hydroformylations and Hydrogenations
Vidal-Ferran, I. Mon, A. Bauzá, A. Frontera, L. Rovira
Chem. Eur. J., 2015, 21 11417-11426

Nickel-Catalyzed Chemo-, Regio- and Diastereoselective Bond-Formation through Proximal C-C Cleavage of Benzocyclobutenones
Julià-Hernández, A. Ziadi, A. Nishimura, R. Martin
Angew. Chem. Int. Ed., 2015, 54, 9537-9541

Thioboration of α,β-Unsaturated Ketones and Aldehydes toward the Synthesis of β-Sulfido Carbonyl Compounds
G. Civit, X. Sanz, C. M. Vogels, J. D. Webb, S. J. Geier, A. Decken, C. Bo, S. A. Westcott, E. Fernández
Org. Chem., 2015, 80, 2148-2154

Asymmetric metal free β-boration of α,β-unsaturated imines assisted by (S)-MeBoPhoz
La Cascia, X. Sanz, C. Bo, A. Whiting, E. Fernandez
Org. Biomol. Chem., 2015, 13, 1328-1332

Tetrabenzocircumpyrene: a nanographene fragment with an embedded peripentacene core
Dorel, C. Manzano, M. Grisolia, W.-H. Soe, C. Joachim, A. M. Echavarren
Chem. Commun., 2015, 51, 6932-6935

Magneto-chiral dichroism: Bring to light
R. Galán-Mascarós
Nature Physics, 2015, 11, 7-8

Organic chemistry: Light opens pathways for nickel catalysis
J. Murphy, P. Melchiorre
Nature, 2015, 524, 297-298

Nature of Noncovalent Carbon-Bonding Interactions Derived from Experimental Charge-Density Analysis
C. Escudero-Adán, A. Bauzá, A. Frontera, P. Ballester
ChemPhysChem, 2015, 16, 2530-2533

Gold-Catalyzed Reactions via Cyclopropyl Gold Carbene-like Intermediates
Dorel, A. M. Echavarren
Org. Chem., 2015, 80, 7321-7332

Dynamic DMF Binding in MOF-5 Enables the Formation of Metastable Cobalt-Substituted MOF-5 Analogues
K. Brozek, V. K. Michaelis, T.-C. Ong, L. Bellarosa, N. López, R. G. Griffin, M. Dincă
ACS Cent. Sci., 2015, 1, 252-260

A–π–D–π–A based porphyrin for solution processed small molecule bulk heterojunction solar cells
V. Kumar, L. Cabau, E. N. Koukaras, A. Sharma, G. D. Sharma, E. Palomares
Mater. Chem. A, 2015, 3, 16287-16301

Enantiopure bisphosphine ligands with appended crown ether groups as regulation sites for Rh-mediated hydrogenations
Fernández-Pérez, I. Mon, A. Frontera, A. Vidal-Ferran
Tetrahedron, 2015, 71, 4490-4494

Amidato complexes of ruthenium, rhodium and iridium from concise N-H bond activation: exploration in catalysis
Martín Romero, L. Fra, A. Lishchynskyi, C. Martínez, J. Streuff, K. Muñiz
Tetrahedron, 2015, 71,4465-4472 

An Iodine Catalyzed Hofmann-Löffler Reaction
Martínez, K. Muñiz
Angew. Chem. Int. Ed., 2015, 54, 8287-8291

An atomistic insight into light-sensitive polymers with methylstilbene building blocks
A. G. Bandeira, B. Tylkowski, K. A. Bogdanowicz, M. Giamberini, C. Bo
Polym. Int., 2015, 64, 935-941

Ni-Catalyzed Regioselective Hydrocarboxylation of Alkynes with CO2 by Using Simple Alcohols as Proton Sources
Wang, M. Nakajima, R. Martin
Am. Chem. Soc., 2015, 137, 8924-8927

Powerful Bis-facially Pyrazolate-Bridged Dinuclear Ruthenium Epoxidation Catalyst
Aguiló, L. Francàs, R. Bofill, M. Gil-Sepulcre, J. García-Antón, A. Poater, A. Llobet, L. Escriche, F. Meyer, X. Sala
Inorg. Chem., 2015, 54, 6782-6791

Highly Chemo-Selective Catalytic Coupling of Substituted Oxetanes and Carbon Dioxide
Rintjema, W. Guo, E. Martin, E. C. Escudro-Adán, A. W. Kleij
Chem. Eur. J., 2015, 21, 10754-10762

Metal-free organic sensitizers with narrow absorption in the visible for solar cells exceeding 10 % efficiency
Joly, L. Pellejà, S. Narbey, F. Oswald, T. Meyer, Y. Kervella, P. Maldivi, J. N. Clifford, E. Palomares, R. Demadrille
Energy Environ. Sci., 2015, 8, 2010-2018

One-pot conversion of furfural to useful bio-products in the presence of a Sn,Al-containing zeolite beta catalyst prepared via post-synthesis routes
M. Antunes, S. Lima, P. Neves, A. L. Magalhães, E. Fazio, A. Fernandes, F. Neri, C. M. Silva, S. M. Rocha, M. F. Ribeiro, M. Pillinger, A. Urakawa, A. A. Valente
Catal., 2015, 329, 522-537

Efficient solution processed D1-A-D2-A-D1 small molecules bulk heterojunction solar cells based on alkoxy triphenylamine and benzo[1,2-b:4,5-b’]thiophene units
V. Kumar, L. Cabau, E. N. Koukaras, G. D. Sharma, E. Palomares
Organic Electronics, 2015, 26, 36-47

Deep Cavitand Self-Assembled on Au NPs-MWCNT as Highly Sensitive Benzene Sensing Interface
Clément, S. Korom, C. Struzzi, E. J. Parra, C. Bittencourt, P. Ballester, E. Llobet
Adv. Funct. Mater., 2015, 25, 4011-4020

Activity and Stability of the Tetramanganese Polyanion [Mn4(H2O)2(PW9O34)2]10— during Electrocatalytic Water Oxidation
Goberna-Ferrón, J. Soriano-López, J. R. Galán-Mascarós
Inorganics, 2015, 3, 332-340

Atomic species identification at the (101) anatase surface by simultaneous scanning tunnelling and atomic force microscopy
Stetsovych, M. Todorović, T. K. Shimizu, C. Moreno, J. W. Ryan, C. Pérez León, K. Sagisaka, E. Palomares, V. Matolín, D. Fujita, R. Perez, O. Custance
Nature Communications, 2015, 6, 7265

Air-Stable Gold Nanoparticles Ligated by Secondary Phosphine Oxides as Catalyst for the Chemoselective Hydrogenation of Substituted Aldehydes: a Remarkable Ligand Effect
Cano, M. A. Huertos, A. M. Chapman, G. Buntkowsky, T. Gutmann, P. B. Groszewicz, P. W. N. M. van Leeuwen
Am. Chem. Soc., 2015, 137, 7718-7727

Anatomy of gold catalysts:facts and myths
Ranieri, I. Escofet, A. M. Echavarren
Org. Biomol. Chem., 2015, 13, 7103-7118

Highly active, chemo- and enantioselective Pt-SPO catalytic systems for the synthesis of aromatic carboxamides
Gulyás, I. Rivilla, S. Curreli, Z. Freixa, P. W. N. M. van Leeuwen
Catal. Sci. Technol., 2015, 5, 3822-3828

Redox non-innocent Ligand Controls Water Oxidation Overpotential in a New Family of Mononuclear Cu-Based Efficient Catalysts
Garrido-Barros, I. Funez-Aldoiz, S. Drouet, J. Benet-Buchholz, F. Maseras, A. Llobet
Am. Chem. Soc., 2015, 137, 6758-6761

Solution Speciation and Stability of Cobalt-Polyoxometalate Water Oxidation Catalysts by X-ray Scattering
Goberna-Ferrón, J. Soriano-López, J. R. Ramón-Mascarós, M. Nyman
Eur. J. Inorg. Chem., 2015, 2833-2840

Photochemical direct perfluoroalkylation of phenols
Filippini, M. Nappi, P. Melchiorre
Tetrahedron, 2015, 71, 4535-4542

Computational Study with DFT and Kinetic Models on the Mechanism of Photoinitiated Aromatic Perfluoroalkylations
M. Fernández-Álvarez, M. Nappi, P. Melchiorre, F. Maseras
Org. Lett., 2015, 17, 2676-2679

Diastereodivergent organocatalysis for the asymmetric synthesis of chiral annulated furans
Verrier, P. Melchiorre
Chem. Sci., 2015, 6, 4242-4246

Ipso-Borylation of Aryl Ethers via Ni-catalyzed C-OMe Cleavage
Zárate, R. Manzano, R. Martin
Am. Chem. Soc., 2015, 137, 6754-6757

Highly Efficient Binuclear Ruthenium Catalyst for Water Oxidation
C. Sander, S. Maji, L. Francàs, T. Böhnisch, S. Dechert, A. Llobet, F. Meyer
ChemSusChem, 2015, 8, 1697-1702

Ni-catalyzed Divergent Cyclization/Carboxylation of Unactivated Primary and Secondary Alkyl Halides with CO2
Wang, Y. Liu, R. Martin
Am. Chem. Soc., 2015, 137, 6476-6479

Structure and Reactivity of Supported Hybrid Platinum Nanoparticles for the Flow Hydrogenation of Functionalized Nitroaromatics
Vilé, N. Almora-Barrios, N. López, J. Pérez-Ramírez
ACS Catal., 2015, 5, 3767-3778

Enantioselective Organocatalytic Alkylation of Aldehydes and Enals Driven by the Direct Photoexcitation of Enamines
Silvi, E. Arceo, I. D. Jurberg, C. Cassani, P. Melchiorre
Am. Chem. Soc., 2015, 137, 6120-6123

Computational Study on the Mechanism of the Acceleration of 1,3-Dipolar Cycloaddition inside Cucurbit[6]uril
Goehry, M. Besora, F. Maseras
ACS Catal., 2015, 5, 2445-2451

A computational view on the reactions of hydrocarbons with coinage metal complexes
Besora, A. A. C. Braga, W. M. C. Sameera, J. Urbano, M. R. Fructos, P. J. Pérez, F. Maseras
Organometallic Chem., 2015, 784, 2-12

High photocurrent in oligo-thienylenevinylene-based small molecule solar cells with 4,9 % solar-to-electrical energy conversion
F. Montcada, R. Domínguez, B. Pelado, P. de la Cruz, E. Palomares, F. Langa
Mater. Chem. A, 2015, 3, 11340-11348

Hydrophobic Effect as a Driving Force for Host-Guest Chemistry of a Multi-Receptor Keplerate-Type Capsule
Watfa, D. Melgar, M. Haouas, F. Taulelle, A. Hijazi, D. Naoufal, J. Bonet Avalos, S. Floquet, C. Bo, E. Cadot
Am. Chem. Soc., 2015, 137, 5845-5851

Spontaneous Magnetization in Homometallic μ6-Oxalate Coordination Polymers
N. Corella-Ochoa, J. Benet-Buchholz, M. Martínez-Belmonte, J. R. Galán-Mascarós
Inorg. Chem., 2015, 54, 4678-4687

Rationalization of Noncovalent Interactions within Six New M(II)/8-Aminoquinoline Supramolecular Complexes (M(II) = Mn, Cu, and Cd): A Combined Experimental and Theoretical DFT Study
Mirzaei, H. Eshtiagh-Hosseini, Z. Bolouri, Z. Rahmati, A. Esmaeilzadeh, A. Hassanpoor, A. Bauza, P. Ballester, M. Barceló-Oliver, J. T. Mague, B. Notash, A. Frontera
Cryst. Growth Des., 2015, 15, 1351-1361

Unraveling the structure sensitivity in methanol conversion on CeO2: A DFT + U study
Capdevila-Cortada, M. García-Melchor, N. López
Catal., 2015, 327, 58-64

When the Solvent Locks the Cage: Theoretical Insight into the Transmetalation of MOF-5 Lattices and Its Kinetic Limitations
Bellarosa, C. K. Brozek, M. García-Melchor, M. Dincă, N. López
Chem. Mater., 2015, 27, 3422-3429

Behavior of the Ru-bda Water Oxidation Catalyst Covalently Anchored on Glassy Carbon Electrodes
Matheu, L. Francàs, P. Chernev, M. Z. Ertem, V. Batista, M. Haumann, X. Sala, A. Llobet
ACS Catal., 2015, 5, 3422-3429

Photo-organocatalytic Enantioselective Perfluoroalkylation of β-Ketoesters
Ł. Woźniak, J. J. Murphy, P. Melchiorre
Am. Chem. Soc., 2015, 137, 5678-5681

Optoelectronics Studies of Methylammonium Lead Iodide Perovskite Solar Cells with Mesoporous TiO2: Separation of Electronic and Chemical Charge Storage, Understanding Two Recombination Lifetimes, and the Evolution of Band Offsets during J-V Hysteresis
C. O’Regan, P. R. F. Barnes, X. Li, C. Law, E. Palomares, J. M. Marin-Beloqui
Am. Chem. Soc., 2015, 137, 5087-5099

Gold Carbene or Carbenoid: Is There a Difference?
Wang, M. E. Muratore. A. M. Echavarren
Chem. Eur. J., 2015, 21, 7332-7339 

Efficient bulk heterojunction solar cells based on solution processed small molecules based on the same benzo[1,2-b:4, 5-b’]thiophene unit as core donor and different terminal units
V. Kumar, L. Cabau, E. N. Koukaras, S. A. Siddiqui, G. D. Sharma, E. Palomares
Nanoscale, 2015, 7, 7692-7703

A polystyrene-supported 9-amino(9-deoxy)epi quinine derivative for continuous flow asymmetric Michael reactions
Izquierdo, C. Ayats, A. H. Henseler, M. A. Pericàs
Org. Biomol. Chem., 2015, 13, 4204-4209

tert-Butyl Phenyl Sulfoxide: A Traceless Sulfenate Anion Precatalyst
Zhang, T. Jia, I. K. Sagamanova, M. A. Pericàs, P. J. Walsh
Org. Lett., 2015, 17, 1164-1167

Highly Efficient Chirality Transfer from Diamines Encapsulated within a Self-Assembled Calixarene-Salen Host
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Chem. Eur. J., 2015, 21, 7144-7150

Rhodium Nanoflowers Stabilized by a Nitrogen-Rich PEG-Tagged Substrate as Recyclable Catalyst for the Stereoselective Hydrosilylation of Internal Alkynes
Guo, R. Pleixats, A. Shafir, T. Parella
Adv. Synth. Catal., 2015, 357, 89-99

A single atom change “switches-on” the solar-to-energy conversion efficiency of Zn-porphyrin based dye sensitized solar cells to 10.5 %
Cabau, C. V. Kumar, A. Moncho, J. N. Clifford, N. López, E. Palomares
Energy Environ. Sci., 2015, 8, 1368-1375

Al(III)-Catalysed Formation of Poly(limonene)carbonate: DFT Analysis of the Origin of Stereoregularity
Peña Carrodeguas, J. González-Fabra, F. Castro-Gómez, C. Bo, A. W. Kleij
Chem. Eur. J., 2015, 21, 6115-6122

Structure, Activity, and Deactivation Mechanisms in Double Metal Cyanide Catalysts for the Production of Polyols
Almora-Barrios, S. Pogodin, L. Bellarosa, M. García-Melchor, G. Revilla-López, M. García-Ratés, A. B. Vázquez-García, P. Hernández-Ariznavarreta, N. López
ChemCatChem, 2015, 7, 928-935

Towards the Ideal Synthesis of Homoallylic Ketones
Ferrer, M. E. Muratore, A. M. Echavarren
ChemCatChem, 2015, 7, 228-229

Enantioselective Total Synthesis of (-)-Nardoaristolone B via a Gold(I)-Catalyzed Oxidative Cyclization
Homs, M. E. Muratore, A. M. Echavarren
Org. Lett., 2015, 17, 461-463

Free Energy Assessment of Water Structures and Their Dissociation on Ru(0001)
Revilla-López, P. Błoński, N. López
Phys. Chem. C, 2015, 119, 5478-5483

New Iron Pyridylamino-Bis(Phenolate) Catalyst for Converting CO2 into Cyclic Carbonates and Cross-Linked Polycarbonates
Taherimehr, J. P. Cardoso Costa Serta, A. W. Kleij, C. J. Whiteoak, P. P. Pescarmona
ChemSusChem, 2015, 8, 1034-1042

Increased short circuit current in an azafullerene-based organic solar cell
Cambarau, U. F. Fritze, A. Viterisi, E. Palomares, M. Von Delius
Chem. Commun., 2015, 51, 1128-1130

Influence of the Molecular Weight and Size Dispersion of the Electroluminescent Polymer on the Performance of Air-Stable Hybrid Light-Emitting Diodes
Martinez-Ferrero, S. Grigorian, J. W. Ryan, W. Cambarau, E. Palomares
ACS Appl. Mater. Interfaces, 2015, 7, 1078-1086

Nickel-Catalyzed Enantioselective C-C Bond Formation through C(sp2)-O Cleavage in Aryl Esters
Cornella, E. P. Jackson, R. Martin
Angew. Chem. Int. Ed., 2015, 127, 4075-4078

Sustainable conversion of carbon dioxide: the advent of organocatalysis
Fiorani, W. Guo, A. W. Kleij
Green Chem., 2015, 17, 1375-1389

Methane hydrate formation in confined nanospace can surpass nature
E. Casco, J. Silvestre-Albero, A. J. Ramírez-Cuesta, F. Rey, J. L. Jordá. A. Bansode, A. Urakawa. I. Peral, M. Martínez-Escandell, K. Kaneko, F. Rodríguez-Reinoso
Nature Communications, 2015, 6, 6432

Chloride-Selective Electrodes Based on “Two-Wall” Aryl-Extended Calix[4]Pyrroles: Combining Hydrogen Bonds and Anion-π Interactions to Achieve Optimum Performance
Sabek, L. Adriaenssens, T. Guinovart, E. J. Parra, F. X. Rius, P. Ballester, P. Blondeau
Chem. Eur. J., 2015, 21, 448-454

Water-soluble aryl-extended calix[4]pyrroles with unperturbed aromatic cavities: synthesis and binding studies
Hernández-Alonso, S. Zankowski, L. Adriaenssens, P. Ballester
Org. Biomol. Chem., 2015, 13, 1022-1029

Tetra-phosphonate Calix[4]pyrrole Cavitands as Multiopic Receptors for the Recognition of Ion Pairs
Ciardi, A. Galán, P. Ballester
Am. Chem. Soc., 2015, 137, 2047-2055

Molecular containers
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Chem. Soc. Rev., 2015, 44, 392-393

Solution processed organic solar cells based on A-D-D’-D-A small molecule with benzo[1,2-b:4,5-b’]dithiophene donor (D’) unit, cyclopentadithiophene donor (D) and ethylrhodanine acceptor unit having 6% light to energy conversion efficiency
V. Kumar, L. Cabau, E. N. Koukaras, A. Viterisi, G. D. Sharma, E. Palomares
Mater. Chem. A, 2015, 3, 4892-4902

Organocatalysis on Tap: Enantioselective Continuous Flow Processes Mediated by Solid-Supported Chiral Organocatalysts
Rodríguez-Escrich, M. A. Pericàs
Eur. J. Org. Chem., 2015, 1173-1188

Double-Supported Silica-Metal-Organic Framework Palladium Nanocatalyst for the Aerobic Oxidation of Alcohols under Batch and Continuous flow Regimes
Pascanu, A. Bermejo Gómez, C. Ayats, A. E. Platero-Prats, F. Carson, J. Su, Q. Yao, M. A. Pericàs, X. Zou, B. Martín-Matute
ACS Catal., 2015, 5, 472-479

Indoline as electron donor unit in “Push-Pull” organic small molecules for solution processed organic solar cells: Effect of the molecular π-bridge on device efficiency
F. Montcada, L. Cabau, C. V. Kumar, W. Cambarau, E. Palomares
Organic Electronics, 2015, 20, 15-23

Nanoparticle shapes by using Wulff constructions and first-principles calculations
D. Barmparis, Z. Lodziana, N. López, I. N. Remediakis
Beilstein J. Nanotechnol., 2015, 6, 361-368

Asymmetric organocatalysts supported on vinyl addition polynorbornenes for work in aqueous media
K. Sagamanova, S. Sayalero, S. Martínez-Arranz, A. C. Albéniz, M. A. Pericàs
Catal. Sci. Technol., 2015, 5, 754-764

Recent Advances in the Catalytic Preparation of Cyclic Organic Carbonates
Martín, G. Fiorani, A. W. Kleij
ACS Catal., 2015, 5, 1353-1370

Managing the Computational Chemistry Big Data Problem: The ioChem-BD Platform
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Chem. Inf. Model., 2015, 55, 95-103

X-Ray Characterization of an Electron Donor-Acceptor Complex that Drives the Photochemical Alkylation of Indoles
R. Kandukuri, A. Bahamonde, I. Chatterjee, I. D. Jurberg, E. C. Escudero-Adán, P. Melchiorre
Angew. Chem. Int. Ed., 2015, 54, 1485-1489

Highly Functionalized Biaryls via Suzuki-Miyaura Cross-Coupling Catalyzed by Pd@MOF under Batch and Continuous Flow Regimes
Pascanu, P. R. Hansen, A. Bermajo Gómez, C. Ayats, A. E. Platero-Prats, M. J. Johansson, M. A. Pericàs, B. Martín-Matute
ChemSusChem, 2015, 8, 123-130

A fully recyclable heterogenized Cu catalyst for the general carbene transfer reaction in batch and flow
Maestre, E. Ozkal, C. Ayats, A. Beltrán, M. M. Díaz-Requejo, P. J. Pérez, M. A. Pericàs
Chem. Sci., 2015, 6, 1510-1515

Oxo-Bridge Scenario behind Single-Site Water-Oxidation Catalysts
López, S. Maji, J. Benet-Buchholz, A. Llobet
Inorg. Chem., 2015, 54, 658-666

Water Oxidation at Electrodes Modified with Earth-Abundant Transition-Metal Catalysts
R. Galán-Mascarós
ChemElectroChem, 2015, 2, 37-50

Density Functional Theory Comparison of Methanol Decomposition and Reverse Reactions on Metal Surfaces
García-Muelas, Q. Li, N. López
ACS Catal., 2015, 5, 1027-1036

Diastereo- and Enantioselective Valorization of Cyclic Organic Carbonates
W. Kleij, C. J. Whiteoak
ChemCatChem, 2015, 7, 51-53

Synthesis, optical and electrochemical properties of the A-π-D-π-A porphyrin and its application as an electron donor in efficient solution processed bulk heterojunction solar cells
C. V. Kumar, L. Cabau, E. N. Koukaras, G. D. Sharma, E. Palomares
Nanoscale, 2015, 7, 179-189