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24 results on '"Brusau, Elena V."'

13. Thermodynamic and kinetic control on the formation of two novel metal-organic frameworks based on the Er(III) ion and the asymmetric dimethylsuccinate ligand

Author

Bernini, Maria C., de la Pea-O'Shea, Victor A., Iglesias, Marta, Snejko, Natalia, Gutierrez-Puebla, Enrique, Brusau, Elena V., Narda, Griselda E., Illas, Francesc, and Monge, M. Angeles

Subjects
Density functionals -- Usage, Fourier transform infrared spectroscopy -- Usage, Methyl groups -- Chemical properties, Methyl groups -- Structure, Succinates -- Chemical properties, X-rays -- Diffraction, X-rays -- Usage, Chemistry
Published
2010

14. Flexible Ligand‐Based Lanthanide Three‐Dimensional Metal–Organic Frameworks with Tunable Solid‐State Photoluminescence and OH‐Solvent‐Sensing Properties

Author

Gomez, Germán E., primary, Brusau, Elena V., additional, Kaczmarek, Anna M., additional, Mellot‐Draznieks, Caroline, additional, Sacanell, Joaquín, additional, Rousse, Gwenaelle, additional, Van Deun, Rik, additional, Sanchez, Clément, additional, Narda, Griselda E., additional, and Soler Illia, Galo J. A. A., additional

Published
2017
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15. Photoluminescence, unconventional-range temperature sensing, and efficient catalytic activities of lanthanide metal-organic frameworks

Author

Comunidad de Madrid, Ministerio de Economía y Competitividad (España), Consejo Nacional de Investigaciones Científicas y Técnicas (Argentina), Universidad Nacional de San Luis (Argentina), Hercules Foundation, Gomez, Germán E., Kaczmarek, Anna M., Van Deun, Rick, Brusau, Elena V., Narda, Griselda E., Vega, Daniel, Iglesias, Marta, Gutiérrez-Puebla, Enrique, Monge, M. Ángeles, Comunidad de Madrid, Ministerio de Economía y Competitividad (España), Consejo Nacional de Investigaciones Científicas y Técnicas (Argentina), Universidad Nacional de San Luis (Argentina), Hercules Foundation, Gomez, Germán E., Kaczmarek, Anna M., Van Deun, Rick, Brusau, Elena V., Narda, Griselda E., Vega, Daniel, Iglesias, Marta, Gutiérrez-Puebla, Enrique, and Monge, M. Ángeles

Abstract

A luminescent lanthanide metal-organic framework (MOF) based on Eu and Tb ions with 2-phenylsuccinate (EuTb-psa) was obtained solvothermally to explore its behavior as a temperature sensor in an unconventional temperature range through the study of the thermal evolution of the hypersensitive 4f-4f D→F transition and the luminescence lifetime. The efficiency of the luminescence process was evaluated through the europium intrinsic quantum yield (Q), and its variation as a function of temperature is also reported. The optical properties of four isostructural compounds (Pr-psa, Nd-psa, Gd-psa, and Tb-psa) were investigated and compared with those of related compounds. The energy of the triplet state of the ligand was also estimated. The samples were fully characterized by single-crystal and powder X-ray diffraction, thermal analysis, and vibrational spectroscopy. The heterogeneous catalytic activities of a series of Ln-psa MOFs (with Ln = Sm, Eu, Gd, Tb, EuGd, and EuTb) were evaluated in a one-pot cyanosilylation with benzaldehyde as the substrate. A luminescent lanthanide metal-organic framework (MOF) based on Eu and Tb ions with 2-phenylsuccinate (EuTb-psa) is explored as a temperature sensor. The optical properties of four isostructural compounds (Pr-psa, Nd-psa, Gd-psa, and Tb-psa) are also investigated. The heterogeneous catalytic activities of these Ln-psa MOFs are evaluated in a one-pot cyanosilylation reaction.

Published
2016

17. Thermodynamic and Kinetic Control on the Formation of Two Novel Metal-Organic Frameworks Based on the Er(III) Ion and the Asymmetric Dimethylsuccinate Ligand

Author

Bernini, María C., de la Peña-O’Shea, Victor A., Iglesias, Marta, Snejko, Natalia, Gutierrez-Puebla, Enrique, Brusau, Elena V., Narda, Griselda E., Illas, Francesc, and Monge, M. Ángeles

Abstract

Two new layered polymeric frameworks have been synthesized under different hydrothermal conditions and characterized by single-crystal X-ray diffraction, thermal analysis, and variable temperature-Fourier Transform Infrared Spectroscopy (VT-FTIR). The compound I, with formula [Er2(dms)3(H2O)4], has a triclinic cell with parameters a= 5.8506 Å, b= 9.8019 Å, c= 11.9747 Å, α = 70.145°, β = 80.234°, and γ = 89.715°, and the compound II, [Er2(dms)3(H2O)], is monoclinic and its cell parameters are a= 11.1794 Å, b= 18.2208 Å, c= 12.7944 Å, β = 112.4270°, where dms = 2,2-dimethylsuccinate ligand. A theoretical study including energy calculations of the dms conformers was carried out at the Density Functional Theory (DFT-B3LYP) level of theory, using the 6-311G* basis set. Further calculations of the apparent formation energies of I and II crystalline structures were performed by means of the periodic density functional theory, using DF plane-waves. The analysis of the structural features, theoretical relative stabilities, and the influence of synthesis conditions are presented here. The heterogeneous catalytic activity of the new compounds is tested and reported.

Published
2024
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24. Reversible breaking and forming of metal-ligand coordination bonds: temperature-triggered single-crystal to single-crystal transformation in a metal-organic framework.

Author

Bernini MC, Gándara F, Iglesias M, Snejko N, Gutiérrez-Puebla E, Brusau EV, Narda GE, and Monge MA

Abstract

Yb(C(4)H(4)O(4))(1.5)] undergoes a temperature-triggered single-crystal to single-crystal transformation. Thermal X-ray single-crystal studies showed a reversibly orchestrated rearrangement of the atoms generated by the breaking/formation of coordination bonds, in which the stoichiometry of the compound remains unchanged. The transformation occurs on heating the crystal at approximately 130 degrees C. This uncommon behavior was also studied by thermal methods, FTIR spectroscopy, and thermodiffractometry. Both polymorphs, alpha (room-temperature form) and beta (high-temperature form), are proven to be active heterogeneous catalysts; the higher catalytic activity of beta is owed to a decrease in the Yb coordination number. A mechanism based on spectroscopic evidence and involving formation of the active species Yb-O-OH is proposed for the sulfide oxidation.

Published
2009
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