Listar Artículos científicos por autor "Páez-Hernández, Dayán"
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A new approach to the mechanism for the acetalization of benzaldehyde over MOF catalysts (2020)
Camú, Esteban; Pazo, Cesar; Becerra, Daniel; Hidalgo-Rosa, Yoan; Páez-Hernández, Dayán; Zárate, Ximena; Schott V, Eduardo; Escalona, Nestor (Royal Society of Chemistry, 2020-09-21)The benzaldehyde acetalization reaction catalyzed by UiO-66, and its fluorinated analog UiO-66F, was carried out in a batch-type reactor at room temperature and atmospheric pressure, and the full kinetic study was performed ... -
Article
An explicitly correlated six-dimensional potential energy surface for the SiCSi + H2 complex (2023)
Cabrera-González, Lisán David; Páez-Hernández, Dayán; Stoecklin, Thierry; Denis-Alpizar, Otoniel (Royal Society of Chemistry, 2023)The first six-dimensional potential energy surface (PES) for the SiCSi + H2 complex is presented in this work. This surface is developed from a large number of ab initio energies computed at the explicitly correlated ... -
Article
Fluorescence turn-on and turn-off mechanisms of a dual-selective chemosensor of Bi3+ and pH changes: Insights from a theoretical perspective (2020)
Treto-Suárez, Manuel Alejandro; Hidalgo-Rosa, Yoan; Schott V, Eduardo; Páez-Hernández, Dayán; Zárate, Ximena P. (Elsevier Ltd, 2021-02)The N-hydroxy 1,8-naphthalimide (LH) is an optical dual-selective chemosensor toward Bi3+ ions as well as pH changes. In specific, this senor is selective to Bi3+ ions, which turn-on the fluorescence upon their interaction; ... -
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Insights into the selective sensing mechanism of a luminescent Cd(II)-based MOF chemosensor toward NACs: roles of the host–guest interactions and PET processes (2021)
Hidalgo-Rosa, Yoan; Mena-Ulecia, Karel; Treto-Suárez, Manuel Alejandro; Schott V, Eduardo; Páez-Hernández, Dayán; Zárate, Ximena P. (Springer, 2021-08)The structural and photophysical properties of the [Cd2(H2L)2(H2O)5].5H2O (where H4L is the ligand 5,5'-((thiophene-2,5-dicarbonyl)bis(azanediyl))diisophthalic acid labeled as Cd-MOF), as well as the elucidation of the ... -
Article
Organotin Schiff bases as halofluorochromic dyes: green synthesis, chemio-photophysical characterization, DFT, and their fluorescent bioimagingin vitro (2021)
López-Espejel, Margarita; Gómez-Treviño, J. Alberto; Muñoz-Flores, Blanca M.; Treto-Suárez, Manuel Alejandro; Schott V, Eduardo; Páez-Hernández, Dayán; Zárate, Ximena P.; Jiménez-Pérez, Victor Manuel (Royal Society of Chemistry, 2021-10-07)Fluorescent bioimaging is an excellent tool in cellular biology, and it will be a powerful technique in modern medicine as a noninvasive imaging technology where tumoral and normal cells must be distinguished. One of the ... -
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Quantum study of the bending relaxation of H2O by collision with H (2024)
Cabrera-González, Lisán David; Denis-Alpizar, Otoniel; Páez-Hernández, Dayán; Stoecklin, Thierry (Oxford University Press, 2022)Vibrationally excited levels of the H2O molecule are currently detected in various environments of the interstellar medium (ISM), and collisional data for H2O, including vibration with the main colliders of the ISM, are ... -
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The role played by structural and energy parameters of β-Diketones derivatives as antenna ligands in Eu(III) complexes (2021)
Arrué, Lily; Santoyo-Flores, Julián Julián; Pizarro, Nancy; Zárate, Ximena P.; Páez-Hernández, Dayán; Schott V, Eduardo (Elsevier B.V., 2021-06-16)Structural and energy parameters role of six β-diketone antennas (symmetry, bulkiness, quenching bonds, donor groups and coordination) were analyzed. Six β-diketone derivatives and its complexes Eu(Phen)(X)3 and Gd(Phen)(X)3(X ... -
Article
Tunning the optical properties of a photocatalytic metal-organic framework by means of molecular modelling (2023)
Treto-Suárez, Manuel A.; Hidalgo-Rosa, Yoan; Ulecia, Karel Mena; Páez-Hernández, Dayán; Koivisto, Bryan D.; Zarate, Ximena; Schott, Eduardo (Royal Society of Chemistry, 2022)A theoretical study of reported isostructural metal-organic frameworks (MOFs) based on MIL-125-Ti4+ was performed to understand the optical properties and facilitate the rational design of new materials with potentially ...