Výsledky vyhledávání - "Vitor H. Menezes da Silva"

DFT perspective on the selectivity and mechanism of ligand-free Heck reaction involving allylic esters and arenediazonium salts

Autor: Nelson H. Morgon, Ataualpa A. C. Braga, Carlos Roque D. Correia, Vitor H. Menezes da Silva

Publikováno v: Repositório Institucional da USP (Biblioteca Digital da Produção Intelectual)
Universidade de São Paulo (USP)
instacron:USP

A density functional theory (DFT) study has been carried out with respect to the cationic and neutral mechanism of ligand-free Heck-Matsuda cross-coupling reaction involving allylic esters and arenediazonium salts. Full Heck-Matsuda (HM) catalytic cy

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::b0f3f01c41d3581d4058775bacacdcea
https://doi.org/10.1016/j.jorganchem.2019.05.023

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Heck arylation of acyclic olefins employing arenediazonium salts and chiral N,N ligands: new mechanistic insights from quantum-chemical calculations

Autor: Vitor H. Menezes da Silva, Ataualpa A. C. Braga, Caio C. Oliveira, Carlos Roque D. Correia

Publikováno v: Repositório Institucional da USP (Biblioteca Digital da Produção Intelectual)
Universidade de São Paulo (USP)
instacron:USP

A quantum-chemical study based on the Kohn–Sham density functional theory (DFT) has been performed in order to investigate the asymmetric Heck–Matsuda (HM) reactions involving a chiral N,N ligand pyrimidine-oxazoline. The oxidative addition (OA)

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::85bdb5f4fe37d1dd6e55be0195735791

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New insights into the electrophilic aromatic substitution mechanism of tricyanovinylation reaction involving tetracyanoethylene and N,N-dimethylaniline: An interpretation based on density functional theory calculations

Autor: Natália M. Monezi, Ataualpa A. C. Braga, Rômulo A. Ando, Vitor H. Menezes da Silva

Publikováno v: Repositório Institucional da USP (Biblioteca Digital da Produção Intelectual)
Universidade de São Paulo (USP)
instacron:USP

The reaction between tetracyanoethylene and N,N- dimethylaniline was extensively studied in early of 1960's. Surprisingly, the role of intermediate species involved in the reaction mechanism is still ambiguous. New density functional theory (DFT) cal

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::5294eba4e0daf59005e363532c80fea0
https://doi.org/10.1016/j.molstruc.2017.04.053

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Nickel-catalysed direct C2-arylation of N-heterocyclic carbenes

Autor: Vitor H. Menezes da Silva, Daniel G. Watanabe, Beate Neumann, Nga Kim T. Ho, Rajendra S. Ghadwal, Hans-Georg Stammler, Ataualpa A. C. Braga

Publikováno v: Repositório Institucional da USP (Biblioteca Digital da Produção Intelectual)
Universidade de São Paulo (USP)
instacron:USP

A highly efficient nickel catalysed method for the direct C2-arylation of N-heterocyclic carbenes (NHCs) is reported. This protocol enables a facile access to C2-arylated imidazolium salts (NHC-Ar)X (X = Cl, Br, I or OTf). Experimental and theoretica

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::03ae6bcd638ec723f05ba87dcc2c804c
https://doi.org/10.1039/c7dt03099a

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Lettuce quality in greenhouse with different technological levels

Autor: Thais Queiroz Zorzeto, Vitor H. Menezes da Silva

Publikováno v: Resumos do....

Technologies for protected lettuce (Lactuca sativa) crop have been gaining ground in scientific studies, in search of alternatives which increases productivity, quality and loss reduction in the production of the most consumed leafy vegetable in Braz

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::4f8a39e68e208b990989d787800fd64f
https://doi.org/10.20396/revpibic2720192001

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