Regiospecific C-H bond activation: Reversible H/D exchange promoted by CuI complexes with triazamacrocyclic ligands

Xavi Ribas; Raül Xifra; Teodor Parella; Albert Poater; Miquel Solà; Antoni Llobet

doi:10.1002/anie.200504222

Regiospecific C-H bond activation: Reversible H/D exchange promoted by Cu^I complexes with triazamacrocyclic ligands

Xavi Ribas, Raül Xifra, Teodor Parella, Albert Poater, Miquel Solà, Antoni Llobet

Producción científica: Contribución a una revista › Artículo › Investigación › revisión exhaustiva

40 Citas (Scopus)

Resumen

(Chemical Equation Presented) The first reversible and regiospecific H/D exchange promoted by CuI proceeds in weakly coordinating deuterated "acidic" solvents, such as [D6]acetone or [D 4]methanol (see scheme). The kinetics of the reaction have been studied in both directions (H/D and D/H exchange) by 1H and 2H NMR spectroscopy, and a molecular mechanism is proposed that is in accordance with all experimental and theoretical data. © 2006 Wiley-VCH Verlag GmbH & Co. KGaA.

Idioma original	Inglés
Páginas (desde-hasta)	2941-2944
Publicación	Angewandte Chemie - International Edition
Volumen	45
N.º	18
DOI	https://doi.org/10.1002/anie.200504222
Estado	Publicada - 28 abr 2006

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https://www.scopus.com/pages/publications/33746191861

Modelización molecular de procesos bioinorgánicos de interés tecnológico (MOMOBIT)
Llobet Dalmases, A. (Investigador/a principal), Company Casadevall, A. (Becario/a), Masllorens Llinars, E. (Becario/a), Moradell Rabert, S. (Becario/a), Sens Llorca, C. (Becario/a), Xifra García, R. (Becario/a), Anda Bataller, M. D. C. (Investigador/a), Costas Salgueiro, M. (Investigador/a), Martínez Lorente, M. Á. (Investigador/a), Nadal Soy, J. (Investigador/a), Ribas Salamaña, X. (Investigador/a), Rodríguez Pizarro, M. (Investigador/a), Romero García, M. I. (Investigador/a) & Sala Roman, X. (Investigador/a)
Ministerio de Ciencia y Tecnología (MCYT)
16/11/03 → 15/11/06
Proyecto: Proyectos y Ayudas de Investigación
Constants d'acoplament escalars, dipolars i coeficients de difusió per RMN. Nous mètodes i aplicació a molècules en abundància natural i biomolècules marcades isotòpicament
Parella Coll, T. (Investigador/a principal), Esturau Escofet, N. (Becario/a), Belloc Pascual, J. (Investigador/a contratado/a), Cabañas Egaña, M. (Investigador/a) & Sánchez Ferrando, F. (Investigador/a)
Ministerio de Ciencia y Tecnología (MCYT)
15/11/03 → 14/11/06
Proyecto: Proyectos y Ayudas de Investigación

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@article{26247054bc85436aae29831a3050e0ad,

title = "Regiospecific C-H bond activation: Reversible H/D exchange promoted by CuI complexes with triazamacrocyclic ligands",

abstract = "(Chemical Equation Presented) The first reversible and regiospecific H/D exchange promoted by CuI proceeds in weakly coordinating deuterated {"}acidic{"} solvents, such as [D6]acetone or [D 4]methanol (see scheme). The kinetics of the reaction have been studied in both directions (H/D and D/H exchange) by 1H and 2H NMR spectroscopy, and a molecular mechanism is proposed that is in accordance with all experimental and theoretical data. {\textcopyright} 2006 Wiley-VCH Verlag GmbH \& Co. KGaA.",

keywords = "Agostic interactions, C-H activation, Copper, Density functional calculations, Isotopic labeling",

author = "Xavi Ribas and Ra{\"u}l Xifra and Teodor Parella and Albert Poater and Miquel Sol{\`a} and Antoni Llobet",

note = "This research was supported by the MEC (Spain; projects BQU2003-02884, BQU2003-01677, and CTQ2005-08797-C02-01). X.R. is grateful for a Juan de la Cierva contract from MEC",

year = "2006",

month = apr,

day = "28",

doi = "10.1002/anie.200504222",

language = "English",

volume = "45",

pages = "2941--2944",

journal = "Angewandte Chemie - International Edition",

issn = "1433-7851",

publisher = "John Wiley and Sons Ltd",

number = "18",

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TY - JOUR

T1 - Regiospecific C-H bond activation: Reversible H/D exchange promoted by CuI complexes with triazamacrocyclic ligands

AU - Ribas, Xavi

AU - Xifra, Raül

AU - Parella, Teodor

AU - Poater, Albert

AU - Solà, Miquel

AU - Llobet, Antoni

N1 - This research was supported by the MEC (Spain; projects BQU2003-02884, BQU2003-01677, and CTQ2005-08797-C02-01). X.R. is grateful for a Juan de la Cierva contract from MEC

PY - 2006/4/28

Y1 - 2006/4/28

N2 - (Chemical Equation Presented) The first reversible and regiospecific H/D exchange promoted by CuI proceeds in weakly coordinating deuterated "acidic" solvents, such as [D6]acetone or [D 4]methanol (see scheme). The kinetics of the reaction have been studied in both directions (H/D and D/H exchange) by 1H and 2H NMR spectroscopy, and a molecular mechanism is proposed that is in accordance with all experimental and theoretical data. © 2006 Wiley-VCH Verlag GmbH & Co. KGaA.

AB - (Chemical Equation Presented) The first reversible and regiospecific H/D exchange promoted by CuI proceeds in weakly coordinating deuterated "acidic" solvents, such as [D6]acetone or [D 4]methanol (see scheme). The kinetics of the reaction have been studied in both directions (H/D and D/H exchange) by 1H and 2H NMR spectroscopy, and a molecular mechanism is proposed that is in accordance with all experimental and theoretical data. © 2006 Wiley-VCH Verlag GmbH & Co. KGaA.

KW - Agostic interactions

KW - C-H activation

KW - Copper

KW - Density functional calculations

KW - Isotopic labeling

UR - https://www.scopus.com/pages/publications/33746191861

U2 - 10.1002/anie.200504222

DO - 10.1002/anie.200504222

M3 - Article

SN - 1433-7851

VL - 45

SP - 2941

EP - 2944

JO - Angewandte Chemie - International Edition

JF - Angewandte Chemie - International Edition

IS - 18

ER -

Regiospecific C-H bond activation: Reversible H/D exchange promoted by CuI complexes with triazamacrocyclic ligands

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Proyectos

Modelización molecular de procesos bioinorgánicos de interés tecnológico (MOMOBIT)

Constants d'acoplament escalars, dipolars i coeficients de difusió per RMN. Nous mètodes i aplicació a molècules en abundància natural i biomolècules marcades isotòpicament

Citar esto

Regiospecific C-H bond activation: Reversible H/D exchange promoted by Cu^I complexes with triazamacrocyclic ligands