Photochemistry and Electron Transfer Studies

This study reports first fully inorganic Eu 3+ -doped glass waveguides as transparent luminescent solar concentrators for BIPV, offering high efficiency, color neutrality, durability, scalability and stable performance for architectural integration.

Accurate prediction of antioxidant activity at the molecular level requires integrated evaluation of thermodynamic and pharmacokinetic parameters. In this study, we conducted a comprehensive quantum chemical investigation to elucidate the scavenging activity of Luteoline against hydroxyl (•OH), a highly aggressive rad…

Accurate prediction of antioxidant activity at the molecular level requires integrated evaluation of thermodynamic and pharmacokinetic parameters. In this study, we conducted a comprehensive quantum chemical investigation to elucidate the scavenging activity of Luteoline against hydroxyl (•OH), a highly aggressive rad…

Accurate calculation of free energies and their derivatives is central to assessing the thermodynamic stability of molecular and particulate systems across length scales. Yet such quantities can be difficult to compute reliably in strongly interacting systems, such as solutions of ionic species in polar solvents. One…

Accurate calculation of free energies and their derivatives is central to assessing the thermodynamic stability of molecular and particulate systems across length scales. Yet such quantities can be difficult to compute reliably in strongly interacting systems, such as solutions of ionic species in polar solvents. One…

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, while activity significantly decreased in nonpolar media. Mechanistic analysis indicates that, under polar conditions, the sequential proton loss-electron transfer (SPLET) pathway predominates, whereas electron transfer mechanisms are disfavored in non polar environments. Overall, BPs are effective radical scavenger…

In this study, we present a comprehensive analysis of the conformational landscape, vibrational properties and photochemistry of monomeric 3-chloromethyl -5-(3-methoxyphenyl)-1,2,4-oxadiazole (CMPO). This molecule can adopt eight different conformers, but only four of these (the skew conformers, with the chlorine atom…

Two dinucluear pentacyanoferrate(II) complexes with different bridging ligands were prepared to study the effect of conjugation on the photophysics of Fe(II) photosensitizers. Spectroelectrochemical and femtosecond transient absorption spectroscopic studies reveal...

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