Search Results - "Esteves, Pierre M."

Heterogeneous Catalysis by Covalent Organic Frameworks (COF): Pd(OAc)2@COF-300 in Cross-Coupling Reactions by Gonçalves, Raoni S. B., de Oliveira, Alline B. V., Sindra, Haryadylla C., Archanjo, Bráulio S., Mendoza, Martín E., Carneiro, Leonardo S. A., Buarque, Camilla D., Esteves, Pierre M.

“…COF‐300, an imine‐linked, crystalline, and microporous covalent organic framework, modified by coordination of Pd(OAc)2 to its walls, afforded a hybrid…”
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Taming the Antiferromagnetic Beast: Computational Design of Ultrashort Mn−Mn Bonds Stabilized by N‐Heterocyclic Carbenes by Francisco, Marcos A. S., Fantuzzi, Felipe, Cardozo, Thiago M., Esteves, Pierre M., Engels, Bernd, Oliveira, Ricardo R.

“…The development of complexes featuring low‐valent, multiply bonded metal centers is an exciting field with several potential applications. In this work, we…”
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The Three‐Component Biginelli Reaction: A Combined Experimental and Theoretical Mechanistic Investigation by De Souza, Rodrigo O. M. A., da Penha, Eduardo T. , Milagre, Humberto M. S., Garden, Simon J., Esteves, Pierre M., Eberlin, Marcos N., Antunes, Octavio A. C.

“…Biginelli reactions have been monitored by direct infusion electrospray ionization mass spectrometry (ESI‐MS) and key cationic intermediates involved in this…”
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Impregnation of different lanthanides in a covalent organic framework (RIO-55) to a chemical determination of dopants substances by Carvalho, André, Branco, Luis C., Corrêa, Leticia R.C., Paninho, Ana B., Esteves, Pierre M., Cruz, Hugo, Freitas, Sunny K.S.

“…Ionic Covalent Organic Frameworks are a special subgroup that has risen as promising materials for innovative applications. In parallel, some of the so-called…”
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Alkane Activation over Acidic Zeolites: The First Step by Louis, Benoit, Pereira, M. Maciel, Santos, Fabiana M., Esteves, Pierre M., Sommer, Jean

“…The heterogeneous acid‐catalyzed activation step of alkanes leading to the reaction intermediates (carbocationic or alkoxy species) was up to now the matter of…”
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Trichloroisocyanuric acid in 98% sulfuric acid: A superelectrophilic medium for chlorination of deactivated arenes by Mendonça, Gabriela Fonseca, Senra, Mônica Rufino, Esteves, Pierre M., de Mattos, Marcio C.S.

“…[Display omitted] ► TCCA is safe, stable, and easily available reagent with high atom economy. ► TCCA is monoprotonated by 98% H 2SO 4. ► DFT calculations…”
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Ferrocene-Based Porous Organic Polymer (FPOP): Synthesis, Characterization and an Electrochemical Study by Petrovski, Željko, Moreira, Mateus P., Santos, Andreia F. M., Freitas, Sunny K. S., Jordão, Noémi, Maia, Renata A., Nunes, Ana V. M., Branco, Luis C., Cruz, Hugo, Esteves, Pierre M.

“…Ferrocene-based porous organic polymers (FPOPs) were prepared from phenol-formaldehyde polymer (Bakelite) and phenol as starting materials; and two possible…”
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pyCOFBuilder: A Python Package for Automated Creation of Covalent Organic Framework Models Based on the Reticular Approach by Oliveira, Felipe L., Esteves, Pierre M.

“…Covalent organic frameworks (COFs) have gained significant popularity in recent years due to their unique ability to provide a high surface area and…”
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Experimental and DFT Study of the Partial Oxidation of Benzene by N2O over H-ZSM-5:  Acid Catalyzed Mechanism by Esteves, Pierre M, Louis, Benoît

“…The reaction mechanism for hydroxylation of benzene by N2O has been studied on chemically modified ZSM-5 catalysts. A maximum in catalytic activity and…”
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Crystal Engineering of Covalent Organic Frameworks Based on Hydrazine and Hydroxy-1,3,5-Triformylbenzenes by A. Maia, Renata, Oliveira, Felipe L, Nazarkovsky, Michael, Esteves, Pierre M

“…Covalent organic frameworks (COFs) were prepared through imine condensation reaction of hydrazine hydrate with hydroxy-1,3,5-triformylbenzenes, containing a…”
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Unified Mechanistic Concept of Electrophilic Aromatic Nitration:  Convergence of Computational Results and Experimental Data by Esteves, Pierre M, de M. Carneiro, José Walkimar, Cardoso, Sheila P, Barbosa, André G. H, Laali, Kenneth K, Rasul, Golam, Prakash, G. K. Surya, Olah, George A

“…The mechanism of electrophilic aromatic nitration was revisited. Based on the available experimental data and new high-level quantum chemical calculations, a…”
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Design, Synthesis and Characterization of Nickel‐Functionalized Covalent Organic Framework NiCl@RIO‐12 for Heterogeneous Suzuki–Miyaura Catalysis by Maia, Renata A., Berg, Fabienne, Ritleng, Vincent, Louis, Benoît, Esteves, Pierre M.

“…A series of nickel‐decorated covalent organic frameworks, NiCl@RIO‐12, were prepared using the post‐synthetic modification strategy, that is, by reacting NiCl2…”
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pyMSERAn Open-Source Library for Automatic Equilibration Detection in Molecular Simulations by Oliveira, Felipe L., Luan, Binquan, Esteves, Pierre M., Steiner, Mathias, Neumann Barros Ferreira, Rodrigo

“…Automated molecular simulations are used extensively for predicting material properties. Typically, these simulations exhibit two regimes: a dynamic…”
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Thermal Conductivity of Covalent Organic Frameworks as a Function of Their Pore Size by Freitas, Sunny K. S, Borges, Raquel S, Merlini, Claudia, Barra, Guilherme M. O, Esteves, Pierre M

“…Covalent organic frameworks (COFs) are a relatively new class of organic nanostructured porous materials, formed by covalent bonds between light elements, with…”
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Spiro‐Carbon: A Metallic Carbon Allotrope Predicted from First Principles Calculations by Oliveira, Felipe L., Capaz, Rodrigo B., Esteves, Pierre M.

“…A structurally stable microporous metallic carbon allotrope, poly(spiro[2.2]penta‐1,4‐diyne) or, for short, spiro‐carbon, with I41/amd (D4h) symmetry is…”
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Enzyme‐Decorated Covalent Organic Frameworks as Nanoporous Platforms for Heterogeneous Biocatalysis by Oliveira, Felipe L., Souza, Stefania P., Bassut, Jonathan, Álvarez, Heiddy M., Garcia‐Basabe, Yunier, Alves de Souza, Rodrigo O. M., Esteves, Pierre M., Gonçalves, Raoni S. B.

“…Sustainability in chemistry heavily relies on heterogeneous catalysis. Enzymes, the main catalyst for biochemical reactions in nature, are an elegant choice to…”
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Covalent Organic Frameworks as a Versatile Platform for Iron‐Catalyzed sp3 C−H Activation and Cross‐Coupling via Decarboxylative Oxidation by Cifuentes, Jhonny M. C., Henrique, Fábio J. F. S., Ligiéro, Carolina B. P., Esteves, Pierre M., Buarque, Camilla D.

“…This work demonstrates the oxidative cross‐coupling of cinnamic acids with toluene using FeCl3 immobilized on a covalent organic framework (COF) pore wall,…”
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Insights into the Role of Framework and Nonframework Aluminum in the Protolytic Reaction of Carbon–Carbon and Tertiary Carbon–Hydrogen Bonds of Isobutane by Pereira, Marcelo M, Santos, Fabiana M, Silva, Alessandra V, Batalha, Nuno, Junior Ferreira da Silva Henrique, Fábio, Esteves, Pierre M, Louis, Benoit

“…Ultrastable Y (USY) zeolite remains the most important component in catalysts for converting oil fractions into gasoline. Usually, USY zeolite contains a large…”
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A Carbocationic Triarylmethane‐Based Porous Covalent Organic Network by Freitas, Sunny K. S., Oliveira, Felipe L., Santos, Thiago C., Hisse, Danilo, Merlini, Claudia, Ronconi, Célia M., Esteves, Pierre M.

“…A thermally stable carbocationic covalent organic network (CON), named RIO‐70 was prepared from pararosaniline hydrochloride, an inexpensive dye, and…”
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n-Diamondynes: Expanding the family of carbon allotropes by Costa, Deyse G., Henrique, Fábio J.F.S., Oliveira, Felipe L., Capaz, Rodrigo B., Esteves, Pierre M.

“…A new family of carbon allotropes, called n-diamondynes, is proposed based on the insertion of acetylide units between the sp3-hybridized carbon atoms of…”
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