Institute of Chemical Research of Catalonia

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2004

Structurally simple, modular amino alcohols for the recognition of carboxylic acids. Application to the development of a new chiral solvating agent

F. Cuevas, P. Ballester, M. A. Pericàs

Org. Lett. 2005, 7, 5485-5487

Framework composition effects on the performance of steam-activated FeMFI zeolites in the N2O-mediated propane oxidative dehydrogenation to propylene

J. Pérez-Ramírez, A. Gallardo-Llamas

J. Phys. Chem. B 2005, 109, 20529-20538

Practical synthesis of Shi's diester fructose derivative for catalytic asymmetric epoxidation of alkenes

N. Nieto, P. Molas, J. Benet-Buchholz, A. Vidal-Ferran

J. Org. Chem. 2005, 70, 10143-10146

Synthesis and conformational studies on hexa-O-alkyl p-unsubstituted calix[6]arenes

J. C. Iglesias-Sánchez, B. Souto, C. Pastor, J. de Mendoza, P. Prados

J. Org. Chem. 2005, 70, 10400-10407

A di-palladium urea complex as molecular receptor for anions

J. A. Tovilla, R. Vilar, A. J. P. White

Chem. Commun. 2005, 4839-4841

Revisiting the methyl iodide oxidative addition to rhodium complexes: A DFT study of the activation parameters

M. Feliz, Z. Freixa, P. W. N. M. Van Leeuwen, C. Bo

Organometallics 2005, 24, 5718-5723

Polystyrene-supported amino alcohol ligands for the heterogeneous asymmetric addition of phenyl zinc reagents to aldehydes

D. Castellnou, M. Fontes, C. Jimeno, D. Font, L. Solà, X. Verdaguer, M. A. Pericàs

Tetrahedron 2005, 61, 12111-12120

Reactivity of Grubbs’ catalysts with urea- and amide-substituted olefins. Metathesis and isomerization

P. Formentín, N. Gimeno, J. H. G. Steinke, R. Vilar

J. Org. Chem. 2005, 70, 8235-8238

Divergent mechanisms for the skeletal rearrangement and [2+2] cycloaddition of enynes catalyzed by gold

C. Nieto-Oberhuber, S. López, M. P. Muñoz, D. J. Cárdenas, E. Buñuel, C. Nevado, A. M. Echavarren

Angew. Chem. Int. Ed. 2005, 44, 6146-6148

Decoupling mesoporosity formation and acidity modification in ZSM-5 zeolites by sequential desilication-dealumination

J. C. Groen, J. A. Moulijn, J. Pérez-Ramírez

Micropor. Mesopor. Mat. 2005, 87, 153-161

Couplings with monoorganotin compounds: A “radical” twist from the original Stille reaction

A. M. Echavarren

Angew. Chem. Int. Ed. 2005, 44, 3962-3965

Conformational control of calix[6]arenes through multiple bridges

H. Galán, J. de Mendoza, P. Prados

Eur. J. Org. Chem. 2005, 4093-4097

General rule for the stabilization of fullerene cages encapsulating trimetallic nitride templates

J. M. Campanera, C. Bo, J. M. Poblet

Angew. Chem. Int. Ed. 2005, 44, 7230-7233

A highly directional fourfold hydrogen-bonding motif for supramolecular structures through self-assembly of fullerodendrimers

U. Hahn, J. J. González, E. Huerta, M. Segura, J.-F. Eckert, F. Cardinali, J. de Mendoza, J.-F. Nierengarten

Chem. Eur. J. 2005, 11, 6666-6672

TEMPO-promoted Pauson-Khand reaction. Single-electron activation of cobalt carbonyl bonds?

A. Lagunas, A. Mairata i Payeras, C. Jimeno, M. A. Pericàs

Org. Lett. 2005, 7, 3033-3036

Synthesis of heavily substituted 1,2-amino alcohols in enantiomerically pure form

N. García-Delgado, K. Subba Reddy, L. Solà, A. Riera, M. A. Pericàs, X. Verdaguer

J. Org. Chem. 2005, 70, 7426-7428

(S)-2-[(R)-Fluoro(phenyl)methyl]oxirane: a general reagent for determining the ee of alpha-chiral amines

S. Rodríguez-Escrich, D. Popa, C. Jimeno, A. Vidal-Ferran, M. A. Pericàs

Org. Lett. 2005, 7, 3829-3832

Creation of hollow zeolite architectures by controlled desilication of Al-Zoned ZSM-5 crystals

J. C. Groen, T. Bach, U. Ziese, A. M. Paulaime-van Donk, K. P. de Jong, J. A. Moulijn, J. Pérez-Ramírez

J. Am. Chem. Soc. 2005, 127, 10792-10793

Ab initio investigations of lithium insertion in boron and nitrogen-doped single walled carbon nanotubes

D. Quiñonero, A. Frontera, C. Garau, A. Costa, P. Ballester, P. M. Deyà

Chem. Phys. Lett. 2005, 411, 256-261

New building blocks based on truxene cores: synthesis of functionalized syn-tri- and hexasubstituted derivatives

E. González-Cantalapiedra, M. Ruiz, B. Gómez-Lor, B. Alonso, D. García-Cuadrado, D. J. Cárdenas, A. M. Echavarren

Eur. J. Org. Chem. 2005, 4127-4140

DFT characterization of adsorbed NHx species on Pt(100) and Pt(111) surfaces

G. Novell-Leruth, A. Valcárcel, A. Clotet, J. M. Ricart, J. Pérez-Ramírez

J. Phys. Chem. B 2005, 109, 18061-18069

Self-assembled pentamers and hexamers linked through quadruple-hydrogen-bonded 2-ureido-4[1H]-pyrimidinones

H. M. Keizer, J. J. González, M. Segura, P. Prados, R. P. Sijbesma, E. W. Meijer, J. de Mendoza

Chem. Eur. J. 2005, 11, 4602-4608

Reversible colorimetric probes for mercury sensing

E. Coronado, J. R. Galán-Mascarós, C. Martí-Gastaldo, E. Palomares, J. R. Durrant, R. Vilar, M. Gratzel, M. K. Nazeeruddin

J. Am. Chem. Soc. 2005, 127, 12351-12356

Self-Assembly, binding, and dynamic properties of heterodimeric porphyrin macrocycles

P. Ballester, A. Costa, P. M. Deyà, A. Frontera, R. M. Gomila, A. I. Oliva, J. K. M. Sanders, C. A. Hunter

J. Org. Chem. 2005, 70, 6616-6622

Highly reduced polyoxometalates: Ab Initio and DFT study of [PMo8V4O40(VO)4]5-

X. López, C. de Graaf, J. M. Maestre, M. Bénard, M.-M. Rohmer, C. Bo, J. M. Poblet

J. Chem. Theory Comput. 2005, 1, 856-861

Counterintuitive affinity of [2.2]paracyclophane to cations

D. Quiñonero, A. Frontera, C. Garau, P. Ballester, A. Costa, P. M. Deyà, F. Pichierri

Chem. Phys. Lett. 2005, 408, 59-64

Fragmentations and reactions of some isotopically labelled dimethyl methyl phosphono and trimethyl phosphoro thiolates and thionates studied by electrospray ionisation ion trap mass spectrometry

J. D. Barr, A. J. Bell, F. Ferrante, G. La Mannad, J. L. Mundyc, C. M. Timperley, M. J. Waters, P. Watts

Int. J. Mass Spec. 2005, 244, 29-40

Synthesis, properties and molecular structure of [Ru(tpm)(bpy)(CH3CN)](PF6)2 (tpm = tris(1-pyrazolyl)methane, bpy = 2,2'-bipyridine) - another example of nitrile hydrolysis promoted by ruthenium(II)

N. E. Katz, F. Fagalde, N. D. Lis de Katz, M. G. Mellace, I. Romero, A. Llobet, J. Benet-Buchholz

Eur. J. Inorg. Chem. 2005, 3019-3023

A theoretical assessment of the thermodynamic preferences in the cyclopalladation of amines

R. Bosque, F. Maseras

Eur. J. Inorg. Chem. 2005, 4040–4047

Highly efficient Fe-silicalite zeolite in direct propane ammoxidation with N2O and O2

J. Pérez-Ramírez, N. Blangenoisb, P. Ruiz

Catal. Lett. 2005, 104, 163-167

Reductive elimination of organic molecules from palladium-diphosphine complexes

E. Zuidema, P. W. N. M. van Leeuwen, C. Bo

Organometallics 2005, 24, 3703-3710

Tetraalkynyl calix[4]arenes with advanced NLO properties

G. Hennrich, M. T. Murillo, P. Prados, K. Song, I. Asselberghs, K. Clays, A. Persoons, J. Benet-Buchholz, J. de Mendoza

Chem. Commun. 2005, 2747-2749

Palladium complexes containing ligands with hydrogen-bonding functionalities. Reactivity and catalytic studies with CO and olefins

G. R. Owen, H. A. Burkill, R. Vilar, A. J. P. White, D. J. Williams

J. Organomet. Chem. 2005, 690, 5113-5124

Computational characterization of the role of the base in the Suzuki-Miyaura cross-coupling reaction

A. A. C. Braga, N. H. Morgon, G. Ujaque, F. Maseras

J. Am. Chem. Soc. 2005, 127, 9298-9307

Fine-tuning the electronic properties of highly stable organometallic CuIII complexes containing monoanionic macrocyclic ligands

R. Xifra, X. Ribas, A. Llobet, A. Poater, M. Duran, M. Solà, T. D. P. Stack, J. Benet-Buchholz, B. Donnadieu, J. Mahía, T. Parella

Chem. Eur. J. 2005, 11, 5146-5156

Activity of SPANphos rhodium dimers in methanol carbonylation

Z. Freixa, P. C. J. Kamer, M. Lutz, A. L. Spek, P. W. N.M. van Leeuwen

Angew. Chem. Int. Ed. 2005, 44, 4385–4388

Transient studies on the mechanism of N2O activation and reaction with CO and C3H8 over Fe-silicalite

J. Pérez-Ramírez, E. V. Kondratenko, M. N. Debbagh

J. Catal. 2005, 233, 442-452

Mechanism of hierarchical porosity development in MFI zeolites by desilication: the role of aluminium as a pore-directing agent

J. C. Groen, L. A. A. Peffer, J. A. Moulijn, J. Pérez-Ramirez

Chem. Eur. J. 2005, 11, 4983-4994

Intramolecular [4+2] cycloadditions of 1,3-enynes or arylalkynes with alkenes with highly reactive cationic phosphine Au(I) complexes

C. Nieto-Oberhuber, S. López, A. M. Echavarren

J. Am. Chem. Soc. 2005, 127, 6178-6179

Evolution of isomorphously substituted iron zeolites during activation: comparison of Fe-beta and Fe-ZSM-5

J. Pérez-Ramírez, J. C. Groen, A. Brückner, M. S. Kumar, U. Bentrup, M. N. Debbagh, L. A. Villaescusa

J. Catal. 2005, 232, 318–334

Fluorescent supramolecular polymers: metal directed self-assembly of perylene bisimide building blocks

R. Dobrawa, M. Lysetska, P. Ballester, M. Grüne, F. Würthner

Macromolecules 2005, 38, 1315-1325

Transition metal-mediated intramolecular [2+2+2] cycloisomerizations of cyclic triynes and enediynes

A. Torrent, I. González, A. Pla-Quintana, A. Roglans, M. Moreno-Mañas, T. Parella, J. Benet-Buchholz

J. Org. Chem. 2005, 70, 2033-2041

Ligand effects in gold- and platinum-catalyzed cyclization of enynes: chiral gold complexes for enantioselective alkoxycyclization

M. P. Muñoz, J. Adrio, J. C. Carretero, A. M. Echavarren

Organometallics 2005, 24, 1293-1300

Computational rationalization of the dependence of the enantioselectivity on the nature of the catalyst in the vanadium-catalyzed oxidation of sulfides by hydrogen peroxide

D. Balcells, F. Maseras, G. Ujaque

J. Am. Chem. Soc. 2005, 127, 3624-3634

Intramolecular hydroarylation of alkynes catalyzed by platinum or gold: mechanism and endo selectivity

C. Nevado, A. M. Echavarren

Chem. Eur. J. 2005, 11, 3155-3164

Noncovalent immobilization of C60 on gold surfaces by SAMs of cyclotriveratrylene derivatives

S. Zhang, A. Palkar, A. Fragoso, P. Prados, J. de Mendoza, L. Echegoyen

Chem. Mater. 2005, 17, 2063-2068

Synthesis, structural characterization, and magnetic studies of polynuclear iron complexes with a new disubstituted pyridine ligand

H. A. Burkill, N. Robertson, R. Vilar, A. J. P. White, D. J. Williams

Inorg. Chem. 2005, 44, 3337-3346

Highly efficient, nonpeptidic oligoguanidinium vectors that selectively internalize into mitochondria

J. Fernández-Carneado, M. Van Gool, V. Martos, S. Castel, P. Prados, J. de Mendoza, E. Giralt

J. Am. Chem. Soc. 2005, 127, 869-874

Computational study on the difference between the Co–C bond dissociation energy in methylcobalamin and adenosylcobalamin

N. Dölker, A. Morreale, F. Maseras

J. Biol. Inorg. Chem. 2005, 10, 509-517

Polystyrene-supported (R)-2-piperazino-1,1,2-triphenylethanol: a readily available supported ligand with unparalleled catalytic activity and enantioselectivity

D. Castellnou, L. Solà, C. Jimeno, J. M. Fraile, J. A. Mayoral, A. Riera, M. A. Pericàs

J. Org. Chem. 2005, 70, 433-438

Transition metal-catalyzed hydroarylation of alkynes

C. Nevado, A. M. Echavarren

Synthesis 2005, 2, 167-182

Prediction of heterofullerene stabilities: a combined DFT and chemometric study of C56Pt2, C57Pt2 and C81Pt2

J. M. Campanera, C. Bo, A. L. Balch, J. Ferré, J. M. Poblet

Chem. Eur. J. 2005, 11, 2730-2742

DABCO-directed self-assembly of bisporphyrins (DABCO=1,4-diazabicyclo[2.2.2]octane)

P. Ballester, A. Costa, A. M. Castilla, P. M. Dey, A. Frontera, R. M. Gomila, C. A. Hunter

Chem. Eur. J. 2005, 11, 2196-2206

Polyoxometalates in solution: Molecular Dynamics simulations on the alpha-PW12O403- Keggin anion in aqueous media

X. López, C. Nieto-Draghi, C. Bo, J. Bonet Avalos, J. M. Poblet

J. Phys. Chem. A 2005, 109, 1216-1222

Mono-ligated palladium species as catalysts in cross-coupling reactions

U. Christmann, R. Vilar

Angew. Chem. Int. Ed. 2005, 44, 366-374

Approximate additivity of anion-π interactions: An ab initio study on anion-π, anion-π2 and anion-π3 complexes

C. Garau, D. Quiñonero, A. Frontera, P. Ballester, A. Costa, P. M. Deyà

J. Phys. Chem. A 2005, 109, 9341-9345

A QM/MM study of the asymmetric dihydroxylation of terminal aliphatic n-alkenes with OsO4•(DHQD)2PYDZ: enantioselectivity as a function of chain length

G. Drudis-Solé, G. Ujaque, F. Maseras, A. Lledós

Chem. Eur. J. 2005, 11, 1017–1029

Structure and binding energy of anion-π and cation-π complexes: A comparison of MP2, RI-MP2, DFT, and DF-DFT methods

D. Quiñonero, C. Garau, A. Frontera, P. Ballester, A. Costa, P. M. Deyà

J. Phys. Chem. A 2005, 109, 4632-4637

Lanthanum ferrite membranes in ammonia oxidation: Opportunities for ‘pocket-sized’ nitric acid plants

J. Pérez-Ramírez, B. Vigeland

Catal. Today 2005, 105, 436-442

Seminars

9/8/2010 12:00

Prof. Alan Katritzky

University of Florida (USA)

Some recent developments in the synthesis of peptides and peptide conjugates

9/3/2010 12:00

Prof. Jaume Vilarrassa

Universitat de Barcelona

Catalytic tricks

Publications

Zinc acetates as efficient catalysts for the synthesis of bis-isocyanate precursors

E. Reixach, N. Bonet, F. X. Rius-Ruiz, S. Wershofen, A. Vidal-Ferran

Ind. Eng. Chem. Res. 2010, 49, 6362-6366

Through-space ligand interactions in enantiomeric dinuclear Ru complexes

N. Planas, G. J. Christian, E. Mas-Marzá, X. Sala, X. Fontrodona, F. Maseras, A. Llobet

Chem. Eur. J. 2010, 16, 7965-7968

Interplay between carbon monoxide, hydrides, and carbides in selective alkyne hydrogenation on palladium

M. García-Mota, B. Bridier, J. Pérez-Ramírez, N. López

J. Catal. 2010, 273, 92-102

News & Events

7/9/2010

2010 ICIQ Summer Fellows

Education

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