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206 results on '"Buñuel, Elena"'

1. Ni(2,2′:6′,2′′-terpyridine)2: a high-spin octahedral formal Ni(0) complex.

Author

Cabrera-Lobera, Natalia, del Horno, Estefanía, Quirós, M. Teresa, Buñuel, Elena, Gimeno, Magali, Brennessel, William W., Neidig, Michael L., Priego, José Luis, and Cárdenas, Diego J.

Subjects
SOLID solutions, CRYSTAL structure, DIMERS, MOLECULES
Abstract

We have synthesised and characterised the complex Ni(tpy)2 (tpy = 2,2′:6′,2′′-terpyridine). This formally Ni(0) complex is paramagnetic both in the solid state and in solution (S = 2). The crystal structure shows an octahedral geometry, with molecules arranged in independent dimers involving π-stacking between pairs of complexes. Magnetic measurementes and DFT calculations suggest the existence of temperature-dependent intermolecular antiferromagnetic coupling in the solid state. [ABSTRACT FROM AUTHOR]

Published
2024
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17. Regioselective Iron‐Catalysed Cross‐Coupling Reaction of Aryl Propargylic Bromides and Aryl Grignard Reagents.

Author

Manjón‐Mata, Inés, Quirós, M. Teresa, Buñuel, Elena, and Cárdenas, Diego J.

Subjects
GRIGNARD reagents, ARYL bromides, COUPLING reactions (Chemistry), BROMIDES, HOMOGENEOUS catalysis, HALIDES
Abstract

An iron‐catalysed Kumada‐type cross‐coupling reaction between aryl substituted propargylic bromides and arylmagnesium reagents has been developed. Propargylic coupling products were the main or only outcome, and propargyl/allene regioselectivity was shown to depend on the electronic nature of the substituents on the triple bond of the substrate and on the arylmagnesium halide. Best selectivities were observed when electron donating substituents were present in either reagent. The process is stereoespecific, occurs with configuration inversion and no carbon‐based radicals seem to be involved in the mechanism. [ABSTRACT FROM AUTHOR]

Published
2020
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27. NiI Catalyzes the Regioselective Cross-Coupling of Alkylzinc Halides and Propargyl Bromides to Allenes.

Author

Soler‐Yanes, Rita, Arribas‐Álvarez, Iván, Guisán‐Ceinos, Manuel, Buñuel, Elena, and Cárdenas, Diego J.

Subjects
ALLENE synthesis, REGIOSELECTIVITY (Chemistry), COUPLING reactions (Chemistry), ALKYLZINC, DENSITY functional theory
Abstract

We describe the unprecedented formation of allenes by Ni-catalyzed cross-coupling of propargyl bromides with alkylzinc halides. The reaction regioselectivity is complementary to the previously reported formation of propargyl-coupled compounds. Experiments support the formation of NiI complexes as the active species and the participation of radical intermediates. Kinetic studies showed that the reaction is first order with respect to the electrophile, zero-order with respect to the nucleophile (fast transmetalation), and one-half order with respect to the metal catalyst. Mechanistic studies support a bimetallic NiI-based pathway that involves fast homolytic cleavage of the C−Br bond by an alkyl-NiI complex, followed by radical coordination to NiI that determines the observed regioselectivity. [ABSTRACT FROM AUTHOR]

Published
2017
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33. Influence of the Number of Anchoring Groups on the Electronic and Mechanical Properties of Benzene‐, Anthracene‐ and Pentacene‐Based Molecular Devices

Author

Martín‐Lasanta, Ana, primary, Miguel, Delia, additional, García, Trinidad, additional, López‐Villanueva, Juan A., additional, Rodríguez‐Bolívar, Salvador, additional, Gómez‐Campos, Francisco M., additional, Buñuel, Elena, additional, Cárdenas, Diego J., additional, de Cienfuegos, Luis Álvarez, additional, and Cuerva, Juan M., additional

Published
2012
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37. Conductance and application of organic molecule pairs as nanofuses

Author

Rodríguez-Bolívar, Salvador, primary, Gómez-Campos, Francisco M., additional, Álvarez de Cienfuegos, Luis, additional, Fuentes, Noelia, additional, Cárdenas, Diego J., additional, Buñuel, Elena, additional, Carceller, Juan E., additional, Parra, Andrés, additional, and Cuerva, Juan M., additional

Published
2011
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39. On/off electrochemical switches based on quinone-bisketals

Author

Fuentes, Noelia, primary, Cienfuegos, Luis Álvarez de, additional, Parra, Andrés, additional, Choquesillo-Lazarte, Duane, additional, García-Ruiz, Juan M., additional, Marcos, M. Luisa, additional, Buñuel, Elena, additional, Ribagorda, Maria, additional, Carreño, M. Carmen, additional, Cárdenas, Diego J., additional, and Cuerva, Juan M., additional

Published
2011
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