Direct decomposition of nitric oxide on alumina-modified amorphous and mesoporous silica-supported palladium catalysts

Cónsul, Julia Maria Diaz; Peralta, Carlos Alexandre; Benvenutti, Edílson V.; Ruiz, Juan A.C.; Pastore, Heloise O.; Baibich, Ione Maluf

doi:10.1016/j.molcata.2005.10.011

Cited by 51 publications

(31 citation statements)

References 27 publications

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“…In the first stage of computation, the geometry optimization of the structures was performed assuming C 1 symmetry of all molecules. At the first stage, the Generalized Gradient Approximation (GGA) was employed applying the Becke-Perdew (BP) exchange-correlation (XC) functional [10,11] using a Slatertype orbitals triple-(TZ) basis set without the frozen core approximation.…”

Section: Assignment Of the Uv-vis Absorption Bandsmentioning

confidence: 99%

Synthesis and optical behaviour of mesoporous silica functionalized by organometallic molecules

Laskowski

Kassiba

Makowska‐Janusik

et al. 2011

J. Phys.: Conf. Ser.

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Section: Assignment Of the Uv-vis Absorption Bandsmentioning

confidence: 99%

Synthesis and optical behaviour of mesoporous silica functionalized by organometallic molecules

Laskowski

Kassiba

Makowska‐Janusik

et al. 2011

J. Phys.: Conf. Ser.

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“…magneto-optical switchers and bi-sensors [1][2][3], drug delivery controllers [4][5][6] or catalytic agents [7,8]. Thus, the considered materials are the subject of broad field of investigations [9][10][11][12] since the functionalities can be tuned by changing the nature of the functional groups such as nanoparticles [13], magnetic clusters [14], organic or organometallic molecules [15].…”

Section: Introductionmentioning

confidence: 99%

Mesoporous Silica Functionalized by Cyclam–Metal Groups: Spectroscopic Studies and Numerical Modeling

Makowska‐Janusik

Kassiba

Errien

et al. 2010

J Inorg Organomet Polym

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Mesoporous silica functionalized by cyclammetal molecules were investigated by spectroscopic methods including Raman, IR, UV-VIS absorption and EPR technique. To analyse quantitatively the physical features, numerical models were developed using the density functional theory method. Thus, the construction of molecular geometries and their optimisation analysis were achieved on the cyclam-metal molecules in vacuum as well as constrained by the host mesoporous silica matrixes. In this context and with regard to the paramagnetic nature of the metals chelated by cyclam molecules, EPR technique allows probing the metal environments which can be compared to theoretical results inferred from numerical models. The vibrational and optical properties were exhaustively investigated and the assignment of the main features was quantitatively discussed thanks to the carried out numerical analyses. The developed approach point out the possibility to define a targeted application of such functional materials based on the possibility to fine tune the absorption features in a wide wavelength range by stabilizing defined configurations of the cyclam-metal groups.

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“…All other catalysts used were synthesized based on the literature reports. [17,22] General Procedure for the Synthesis of Dibenzyls and Alkyl Phenylpropionates…”

Section: Methodsmentioning

confidence: 99%

Palladium‐Catalyzed Heck Coupling‐Hydrogenation: Highly Efficient One‐Pot Synthesis of Dibenzyls and Alkyl Phenyl Esters

et al. 2008

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Direct decomposition of nitric oxide on alumina-modified amorphous and mesoporous silica-supported palladium catalysts

Cited by 51 publications

References 27 publications

Synthesis and optical behaviour of mesoporous silica functionalized by organometallic molecules

Synthesis and optical behaviour of mesoporous silica functionalized by organometallic molecules

Mesoporous Silica Functionalized by Cyclam–Metal Groups: Spectroscopic Studies and Numerical Modeling

Palladium‐Catalyzed Heck Coupling‐Hydrogenation: Highly Efficient One‐Pot Synthesis of Dibenzyls and Alkyl Phenyl Esters

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