Understanding electronic ligand perturbation over successive metal-based redox potentials in mononuclear ruthenium-aqua complexes

Lydia Vaquer; Pere Miró; Xavier Sala; Fernando Bozoglian; Ester Masllorens; Jordi Benet-Buchholz; Xavier Fontrodona; Teodor Parella; Isabel Romero; Anna Roglans; Montserrat Rodríguez; Carles Bo; Antoni Llobet

doi:10.1002/cplu.201200268

Understanding electronic ligand perturbation over successive metal-based redox potentials in mononuclear ruthenium-aqua complexes

Lydia Vaquer, Pere Miró, Xavier Sala, Fernando Bozoglian, Ester Masllorens, Jordi Benet-Buchholz, Xavier Fontrodona, Teodor Parella, Isabel Romero, Anna Roglans, Montserrat Rodríguez, Carles Bo, Antoni Llobet

Research output: Contribution to journal › Article › Research › peer-review

17 Citations (Scopus)

Abstract

A family of new ruthenium complexes containing a combination of polypyridyl and carbene ligands has been prepared and characterized from structural, spectroscopic, and redox viewpoints both experimentally and computationally. Interestingly, a correlation between ΔE1/2, defined as the difference between E1/2(RuIV/III) and E 1/2(RuIII/II), and the activity and selectivity of some catalytic oxidation processes has been clearly established. A density functional theory study on the synthesized species has been carried out revealing a correlation between the number of carbene ligands and ΔE1/2, and consequently with the RuIII disproportionation. The reactivity of these complexes has been tested with regard to the electrocatalytic oxidation of benzyl alcohol. © 2013 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Original language	English
Pages (from-to)	235-243
Journal	ChemPlusChem
Volume	78
Issue number	3
DOIs	https://doi.org/10.1002/cplu.201200268
Publication status	Published - 1 Jan 2013

Keywords

Carbenes
Density functional calculations
Nitrogen heterocycles
Redox chemistry
Ruthenium

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10.1002/cplu.201200268

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Vaquer, L., Miró, P., Sala, X., Bozoglian, F., Masllorens, E., Benet-Buchholz, J., Fontrodona, X., Parella, T., Romero, I., Roglans, A., Rodríguez, M., Bo, C., & Llobet, A. (2013). Understanding electronic ligand perturbation over successive metal-based redox potentials in mononuclear ruthenium-aqua complexes. ChemPlusChem, 78(3), 235-243. https://doi.org/10.1002/cplu.201200268

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title = "Understanding electronic ligand perturbation over successive metal-based redox potentials in mononuclear ruthenium-aqua complexes",

abstract = "A family of new ruthenium complexes containing a combination of polypyridyl and carbene ligands has been prepared and characterized from structural, spectroscopic, and redox viewpoints both experimentally and computationally. Interestingly, a correlation between ΔE1/2, defined as the difference between E1/2(RuIV/III) and E 1/2(RuIII/II), and the activity and selectivity of some catalytic oxidation processes has been clearly established. A density functional theory study on the synthesized species has been carried out revealing a correlation between the number of carbene ligands and ΔE1/2, and consequently with the RuIII disproportionation. The reactivity of these complexes has been tested with regard to the electrocatalytic oxidation of benzyl alcohol. {\textcopyright} 2013 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.",

keywords = "Carbenes, Density functional calculations, Nitrogen heterocycles, Redox chemistry, Ruthenium",

author = "Lydia Vaquer and Pere Mir{\'o} and Xavier Sala and Fernando Bozoglian and Ester Masllorens and Jordi Benet-Buchholz and Xavier Fontrodona and Teodor Parella and Isabel Romero and Anna Roglans and Montserrat Rodr{\'i}guez and Carles Bo and Antoni Llobet",

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Vaquer, L, Miró, P, Sala, X, Bozoglian, F, Masllorens, E, Benet-Buchholz, J, Fontrodona, X, Parella, T, Romero, I, Roglans, A, Rodríguez, M, Bo, C & Llobet, A 2013, 'Understanding electronic ligand perturbation over successive metal-based redox potentials in mononuclear ruthenium-aqua complexes', ChemPlusChem, vol. 78, no. 3, pp. 235-243. https://doi.org/10.1002/cplu.201200268

TY - JOUR

T1 - Understanding electronic ligand perturbation over successive metal-based redox potentials in mononuclear ruthenium-aqua complexes

AU - Vaquer, Lydia

AU - Miró, Pere

AU - Sala, Xavier

AU - Bozoglian, Fernando

AU - Masllorens, Ester

AU - Benet-Buchholz, Jordi

AU - Fontrodona, Xavier

AU - Parella, Teodor

AU - Romero, Isabel

AU - Roglans, Anna

AU - Rodríguez, Montserrat

AU - Bo, Carles

AU - Llobet, Antoni

PY - 2013/1/1

Y1 - 2013/1/1

N2 - A family of new ruthenium complexes containing a combination of polypyridyl and carbene ligands has been prepared and characterized from structural, spectroscopic, and redox viewpoints both experimentally and computationally. Interestingly, a correlation between ΔE1/2, defined as the difference between E1/2(RuIV/III) and E 1/2(RuIII/II), and the activity and selectivity of some catalytic oxidation processes has been clearly established. A density functional theory study on the synthesized species has been carried out revealing a correlation between the number of carbene ligands and ΔE1/2, and consequently with the RuIII disproportionation. The reactivity of these complexes has been tested with regard to the electrocatalytic oxidation of benzyl alcohol. © 2013 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

AB - A family of new ruthenium complexes containing a combination of polypyridyl and carbene ligands has been prepared and characterized from structural, spectroscopic, and redox viewpoints both experimentally and computationally. Interestingly, a correlation between ΔE1/2, defined as the difference between E1/2(RuIV/III) and E 1/2(RuIII/II), and the activity and selectivity of some catalytic oxidation processes has been clearly established. A density functional theory study on the synthesized species has been carried out revealing a correlation between the number of carbene ligands and ΔE1/2, and consequently with the RuIII disproportionation. The reactivity of these complexes has been tested with regard to the electrocatalytic oxidation of benzyl alcohol. © 2013 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

KW - Carbenes

KW - Density functional calculations

KW - Nitrogen heterocycles

KW - Redox chemistry

KW - Ruthenium

U2 - 10.1002/cplu.201200268

DO - 10.1002/cplu.201200268

M3 - Article

SN - 2192-6506

VL - 78

SP - 235

EP - 243

JO - ChemPlusChem

JF - ChemPlusChem

IS - 3

ER -

Understanding electronic ligand perturbation over successive metal-based redox potentials in mononuclear ruthenium-aqua complexes

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Keywords

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