Publications by authors named "Maria Aurora Veloz Rodriguez"

The study of a macromolecule derived from DPP and triphenylamine, (DPP-BisTPA) by computational chemistry, its synthesis by direct arylation, optical characterization (UV-Vis and fluorescence) and electrochemistry (cyclic voltammetry), as well as its evaluation as a generator of reactive oxygen species indirectly, through the degradation of uric acid. The results obtained by DFT using B3LYP/6-31G (d, p) and TD-DFT using CAM-B3LYP/6-31G (d, p) reveal values of energy levels of the first singlet and triplet excited state that indicate a possible intersystem crossover and the possible generation of reactive oxygen species by a type I mechanism. The compound presents an absorption region within the phototherapeutic window.

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A π-conjugated polymer (PBQT) containing bis-(2-ethylhexyloxy)-benzo [1,2-b'] bithiophene (BDT) units alternated with a quinoline-vinylene trimer was obtained by the Stille reaction. The chemical structure of the polymer was verified by nuclear magnetic resonance (H NMR), Fourier transform infrared (FT-IR), and mass spectroscopy (MALDI-TOF). The intrinsic photophysical properties of the solution were evaluated by absorption and (static and dynamic) fluorescence.

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In this work a Metal-Organic Framework (MOF) was prepared using a solvothermal method, taking as precursors 1. 2-di-(4-pyridyl)-ethylene, 1.2.

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Article Synopsis
  • The study focuses on the synthesis of two oligophenyleneimine pentamers, DAFCHO and FDACHO, which contain terminal aldehydes, using mechanochemistry methods and various diamines.* -
  • The compounds were characterized using spectroscopy techniques (¹H and C-NMR, FT-IR, mass spectrometry) and displayed interesting photochromic properties in chloroform when exposed to sunlight, with notable energy band gap values measured.* -
  • Electrochemical studies revealed their potential as organic semiconductors, with HOMO and LUMO values indicating favorable electronic properties, and findings were further supported by Density Functional Theory (DFT) calculations.*
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