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Solvatochromism and cis-trans isomerism in azobenzene-4-sulfonyl chloride

Sidir, Isa; Gülseven Sidir, Yadigar; Berber, Halil; Fausto, Rui

Solvatochromism exhibited by azobenzene-4-sulfonyl chloride (here abbreviated as Azo-SCl) has been investigated in a series of non-polar, polar-aprotic and polar-protic solvents. The UV-vis spectra of Azo-SCl exhibit two long-wavelength bands, observed at 321-330 nm (band-I) and 435-461 nm (band-II), which are ascribed to the π*-π (S2←S0) and π*-n (S1←S0) transitions, respectively. The shorter wavelength band i...


A comprehensive exploration of optical properties of GdAlO3: Cr3+

Souissi, Hajer; Kammoun, S.; Dhahri, E.; Pina, João; Costa, Benilde F. O.; Fausto, Rui

This study focused on the optical properties of the Cr3+-doped GdAlO3 perovskite,through comprehensive analysis of its photoluminescence spectra. The GdAlO3:Cr3+perovskite,synthesized by a traditional solid-state process, crystallizes in theorthorhombicPbnmspacegroup, with Cr3+ions substituting Al3+ ions in octahedral sites. Photoluminescence excitation and emission spectra of the material were obtained and ass...


Co-doped FeNbO4: Simple synthesis, DFT calculations and electrocatalytic perfor...

Jucá, Raí F.; Evaristo, Diego S.; Oliveira, Francisco G. S.; Santos, Luís P. M.; Saraiva, Gilberto D.; Castro, António J. R.; Ferreira, Nilson S.

Cobalt-doped iron niobate samples, Fe(1−x)CoxNbO4 (0 ≤ x ≤ 0.20), synthesized by the solid-state reaction method, were characterized using X-ray diffraction (XRD), Raman spectroscopy, scanning electron microscopy (SEM) and energy dispersive spectroscopy (EDS). Density functional theory (DFT) calculations was employed to assign the experimental Raman modes of FeNbO4 and for cobalt-doped iron niobate, as the Rama...


Novel tetradentate N2O2 water-soluble Schiff Base and its Al(III) complex: synt...

Bouznif, Hajer; Justino, Licínia L. G.; Soares, Maria I. L.; Costa, Telma; Ramos, Maria Luisa; Nikitin, Timur; Pinho e Melo, Teresa M. V. D.

A novel water-soluble di-Schiff base, N,N’-bis(3-methoxy-5-sulfonatosalicylidene)-1,2- ethylenediamine disodium salt (MSS), was synthesized under both conventional heating and microwave-assisted conditions. Detailed characterization was conducted using various techniques including NMR, HRMS, UV_vis, SEM/EDX, DSC, ATR-FTIR and Raman spectroscopies, accompanied by DFT calculations. The study discusses the enol-im...


Infrared Spectrum and UV-Triggered Transformations of Matrix-Isolated Meta-Fluo...

Lopes Jesus, António J.; Lucena, Juracy R. Jr.; Rodrigues, G. P.; Ogruc Ildiz, Gulce; do Monte, Silmar A.; Ventura, Elizete; Fausto, Rui

The infrared (IR) spectrum of meta-fluorothiophenol (mFTP) isolated in a low-temperature N2 matrix was recorded and interpreted with the aid of B3LYP vibrational frequency calculations for both cis and trans conformers. Then, photochemical transformations in the matrix-isolated compound were triggered through UV-Vis laser irradiations and their outcomes were monitored by IR spectroscopy. Upon excitation at λ = ...


A protocol for the investigation of the intramolecular vibrational energy redis...

Duarte, Leonardo J.; Nunes, Cláudio M.; Fausto, Rui; Braga, Ataualpa A. C.

The conformational isomerization of nitrous acid (HONO) promoted by excitation of the νOH or νN[double bond, length as m-dash]O stretching normal coordinates is the first observed case of an infrared-induced photochemical reaction. The energy captured by the excited normal modes is redistributed into a highly excited vibrational level of the τOH torsion normal coordinate, which is the isomerization reaction coo...


Graphene‐Assisted Chemical Stabilization of Liquid Metal Nano Droplets for Liqu...

Sanati, Afsaneh L.; Nikitin, Timur; Fausto, Rui; Majidi, Carmel; Tavakoli, Mahmoud

Energy storage devices with liquid-metal electrodes have attracted interest in recent years due to their potential for mechanical resilience, self-healing, dendrite-free operation, and fast reaction kinetics. Gallium alloys like Eutectic Gallium Indium (EGaIn) are appealing due to their low melting point and high theoretical specific capacity. However, EGaIn electrodes are unstable in highly alkaline electrolyt...


Thermophysical properties of n-alkane system for low temperature thermal energy...

Nogueira, Bernardo A.; Nikitin, Timur; Diogo, Hermínio P.; Fausto, Rui; Fareleira, João; Caetano, Fernando J. P.; Sequeira, Maria Carolina

Over the past few decades, the escalating need for energy has posed a significant and pressing challenge. For centuries, fossil fuels stood as the dominant energy source; however, due to their dwindling availability and environmental complications, renewable energies have emerged as the promising solution for the future [1]. The intermittent nature of renewable energy sources often results in a disconnect betwe...


Revisiting odd-even effects in n-alkane systems

Fausto, Rui; Sequeira, Maria Carolina; Caetano, Fernando J. P.; Diogo, Herminio; Fareleira, João M. N. A.; Nikitin, Timur; Fausto, Rui

n-Alkanes have been widely studied for different applications. Recently, they became still more popular due to their exceptional characteristics as phase change materials (PCMs) for thermal energy storage (TES) applications [1]. In our research group, during the last three years, we have been studying the phase equilibrium behaviour of some binary systems with potential application as PCMs, including n-alkanes ...


Low temperature thermal energy storage: insights into odd-even n-alkane system

Sequeira, Maria Carolina; Nogueira, Bernardo; Nikitin, Timur; Caetano, Fernando J. P.; Diogo, Herminio; Fausto, Rui; Fareleira, João M. N. A.


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