Search Results - "VEIROS, L. F"

Stepwise Hapticity Changes in Sequential One-Electron Redox Reactions of Indenyl-Molybdenum Complexes:  Combined Electrochemical, ESR, X-ray, and Theoretical Studies by Stoll, Michael E, Belanzoni, Paola, Calhorda, Maria J, Drew, Michael G. B, Félix, Vitor, Geiger, William E, Gamelas, Carla A, Gonçalves, Isabel S, Romão, Carlos C, Veiros, Luís F

“…Reduction of the dication [(η5-Ind)(Cp)Mo{P(OMe)3}2]2+ (1 2+) and oxidation of the neutral complex (η3-Ind)(Cp)Mo{P(OMe)3}2 (1) proceed through a one-electron…”
Get full text

Diffusion and Overhauser NMR Studies on Dicationic Palladium Complexes of BINAP by Nama, Devendrababu, Schott, Daniele, Pregosin, Paul S, Veiros, L. F, Calhorda, M. J

“…PGSE diffusion, 1H,19F Overhauser, and related 2-D NMR studies on several salts of the dications [Pd(H2O)2(BINAP)]2+, [Pd(μ-OH)(BINAP)]2 2+, and…”
Get full text

Synthesis, Structure, Luminescence, and Theoretical Studies of Tetranuclear Gold Clusters with Phosphinocarborane Ligands by Calhorda, M. José, Crespo, Olga, Gimeno, M. Concepción, Jones, Peter G, Laguna, Antonio, López-de-Luzuriaga, José M, Perez, Juán L, Ramón, Miguel A, Veiros, Luís F

“…Treatment of the tetranuclear gold cluster [Au4{(PPh2)2C2B9H10}2(AsPh3)2] (1), which contains the nido-carborane-diphosphine [7,8-(PPh2)2C2B9H10]-, with…”
Get full text

Remarkably stable radical anions derived from clusters [HOs 3(CO) 9(L)], L= ortho-metallated α-diimine: a spectro-electrochemical study and theoretical rationalization by Nijhoff, J, Hartl, F, van Outersterp, J.W.M, Stufkens, D.J, Calhorda, M.J, Veiros, L.F

“…Reduction of the cluster [Os 3(CO) 10( i Pr-PyCa)], i Pr–PyCa= σ- N, σ- N′-pyridine-2-carbaldehyde- N-isopropyl-imine, ( 1) follows an ECEC sequence. The…”
Get full text

Molecular Metals Based on 1,2,7,8-Tetrahydrodicyclopenta[cd:lm]perylene and Iodine, (CPP)2(I3)1-.delta by Morgado, Jorge, Santos, Isabel C, Henriques, Rui T, Fourmigue, Marc, Matias, Pedro, Veiros, Luis F, Calhorda, Maria J, Duarte, M. Teresa, Alcacer, Luis, Almeida, Manuel

Get full text

Mechanism for the Cyclotrimerization of Alkynes and Related Reactions Catalyzed by CpRuCl by Kirchner, Karl, Calhorda, Maria José, Schmid, Roland, Veiros, Luís F

“…A complete catalytic cycle for the cyclotrimerization of acetylene with the CpRuCl fragment has been proposed and discussed based on DFT/B3LYP calculations,…”
Get full text

The Nature of the Indenyl Effect by Calhorda, Maria José, Romão, Carlos C., Veiros, Luis F.

“…The η5‐to‐η3 coordination shift of cyclopentadienyl (Cp=C5H5−) and indenyl (Ind=C9H7−) ligands in molybdenocene complexes, [(η5‐Cp′)(η5‐Cp)Mo(CO)2]2+ (Cp′=Cp…”
Get full text

Zirconium Bis(indenyl) Sandwich Complexes with an Unprecedented Indenyl Coordination Mode and Their Role in the Reactivity of the Parent Bent-Metallocenes: A Detailed DFT Mechanistic Study by Veiros, Luis F.

“…The mechanisms of three closely related reactions were studied in detail by means of DFT/B3 LYP calculations with a VDZP basis set. Those reactions correspond…”
Get full text

Olefin epoxidation with tert-butyl hydroperoxide catalyzed by MoO2X2L complexes: a DFT mechanistic study by Veiros, Luís F, Prazeres, Angela, Costa, Paulo J, Romão, Carlos C, Kühn, Fritz E, José Calhorda, Maria

“…DFT calculations suggest that the catalytic epoxidation of olefins by Mo(vi) complexes, modeled by MoO2Br2(MeN=C(H)-C(H)=NMe), in the presence of MeOOH, the…”
Get more information

Syntheses, electrochemistry, and bonding of bis(cyclopentadienyl)molybdenum alkyl complexes. Molecular structure of Mo(.eta.5-C5H5)2(C4H9)2. Thermochemistry of Mo(.eta.5-C5H5)2R2 and Mo(.eta.5-C5H5)2L (R = CH3, C2H5, C4H9; L = ethylene, diphenylacetylene) by Calhorda, Maria Jose, Carrondo, Maria A. A. F. de C. T, Dias, Alberto R, Galvao, Adelino M, Garcia, M. Helena, Martins, Ana M, Minas da Piedade, Manuel E, Pinheiro, Carla I, Romao, Carlos C

Get full text

Substituent Effects on Haptotropic Rearrangements of Bis(indenyl)zirconium Sandwich Complexes by Veiros, Luis F

“…DFT/B3LYP calculations with a VDZP basis set were used to study the mechanism of interchange between the two inequivalent indenyl ligands (Ind‘ = C6H5R2) in…”
Get full text

N,N′-Ethylenebis(pyridoxylideneiminato) and N,N′-Ethylenebis(pyridoxylaminato): Synthesis, Characterization, Potentiometric, Spectroscopic, and DFT Studies of Their Vanadium(IV) and Vanadium(V) Complexes by Correia, Isabel, Costa Pessoa, Joāo, Duarte, M. Teresa, Henriques, Rui T., Piedade, M. Fátima M., Veiros, Luís F., Jakusch, Tamás, Kiss, Tamás, Dörnyei, Ágnes, Castro, M. Margarida C. A., Geraldes, Carlos F. G. C., Avecilla, Fernando

“…The Schiff base N,N′‐ethylenebis(pyridoxylideneiminato) (H2pyr2en, 1) was synthesized by reaction of pyridoxal with ethylenediamine; reduction of H2pyr2en with…”
Get full text

Ring slippage in indenyl complexes: structure and bonding by Calhorda, Maria José, Veiros, Luı́s F.

“…A review of some structural and reactivity aspects of the coordinated indenyl ligand, dealing mainly with the systems theoretically studied by the authors is…”
Get full text

Ruthenium-Catalyzed Allylic Alkylation Reactions: Carbonate-Based Catalysts and Intermediates by Hermatschweiler, René, Fernández, Ignacio, Breher, Frank, Pregosin, Paul S., Veiros, Luis F., Calhorda, Maria José

“…Branching out: A previously unrecognized ruthenium carbonate intermediate is formed during the reaction of an allylic tert‐butoxycarbonate with the ruthenium…”
Get full text

Haptotropic Shifts in Cyclopentadienyl Organometallic Complexes:  Ring Folding vs Ring Slippage by Veiros, Luis F

“…The coordination geometry of shifted cyclopentadienyl ligands (Cp = C5H5 -) in organometallic complexes resulting from a two-electron reduction of η5-Cp parent…”
Get full text

Bonding and structural preferences of indenyl complexes: MInd2Ln (n=0–3) by Calhorda, Maria José, Félix, Vitor, Veiros, Luı́s F

Get full text

By What Mechanisms Are Metal Cyclobutadiene Complexes Formed from Alkynes? by Veiros, Luís F., Dazinger, Georg, Kirchner, Karl, Calhorda, Maria José, Schmid, Roland

“…The mechanism of formation of an η4‐cyclobutadiene complex from a metallacycle, generated by oxidative coupling of two acetylenes with the fragments CpRuCl,…”
Get full text

The Role of Haptotropic Shifts in Phosphine Addition to Tricarbonylmanganese Organometallic Complexes:  The Indenyl Effect Revisited by Veiros, Luis F

“…The addition of PH3 to [(η5-X)Mn(CO)3] was studied by means of molecular orbital calculations performed with the B3LYP HF/DFT hybrid functional. Five…”
Get full text

Molecular conductors based on radical cation hydrated halides: new crystal phase of the (BEDT-TTF)3Br2.2H2O organic metal by KHASANOV, S. S, ZORINA, L. V, SHIBAEVA, R. P, PESOTSKII, S. I, KARTSOVNIK, M. V, VEIROS, L. F, CANADELL, E

Get full text

Molecular conductors based on radical cation hydrated halides: new crystal phase of the (BEDT-TTF)3Br2·2H2O organic metal by Khasanov, S.S., Zorina, L.V., Shibaeva, R.P., Pesotskii, S.I., Kartsovnik, M.V., Veiros, L.F., Canadell, E.

Get full text