The electronic structure and photoinduced electron transfer processes in a K(+) fluorescent sensor that comprises a 4-amino-naphthalimide derived fluorophore with a triazacryptand ligand is investigated using density functional theory (DFT) and time-dependent density functional theory (TDDFT) in order to rationalize the function of the sensor. The absorption and emission energies of the intense...

The reaction center (RC) from Rhodobacter sphaeroides converts light into chemical energy through the light induced two-electron, two-proton reduction of a bound quinone molecule QB (the secondary quinone acceptor). A unique pathway for proton transfer to the QB site had so far not been determined. To study the molecular basis for proton transfer, we investigated the effects of exogenous metal ...

The electronic structure and photoinduced electron transfer processes in a K+ fluorescent sensor that comprises a 4-amino-naphthalimide derived fluorophore with a triazacryptand ligand is investigated using density functional theory (DFT) and time-dependent density functional theory (TDDFT) in order to rationalise the function of the sensor. The absorption and emission energies of the intense e...

Hot electrons are generated in Si(001) at 295 K via linear absorption of .4.3 eV photons or by threephoton processes using 270 fs, 800 nm (1.55 eV) optical pulses. Electron trapping in oxide films is observed via time-dependent optical second harmonic generation induced by the electric field associated with charge transfer. For anodically oxidized samples and constant beam irradiance, the trans...

Studies on the electron-transfer kinetics of copper(II)/(I)-macrocyclic polythiaether complexes have included rapid-scan cyclic voltammetry, stopped-flow kinetic measurements on several cross reactions involving both Cu(II) reduction and Cu(1) oxidation, and direct NMR measurements of the Cu(I1)-Cu(1) self-exchange electron-transfer rate constants. The results demonstrate that the reaction mech...

Molybdenum disulfide (MoS2), with its active edge sites, is a proposed alternative to platinum for catalyzing the hydrogen evolution reaction (HER). Recently, the inert basal plane of MoS2 was successfully activated and optimized with excellent intrinsic HER activity by creating and further straining sulfur (S) vacancies. Nevertheless, little is known about the HER kinetics of those S vacancies...

In this article, the effect of interparticle interactions of 4.63 nm sized monolayer protected gold clusters (Au MPCs) during quantized double layer (QDL) charging has been investigated using electrochemical techniques. Voltammetry and scanning tunneling microscopy have been used to compare their electron transfer behavior. Furthermore, since the QDL process is diffusion controlled, the diffusi...

Iron hangman complexes exhibit improved catalytic properties regardingO2 and H2O2 reduction, which are attributed to the presence of a proton donating group in defined vicinity of the catalytic metal centre. Surface enhanced resonance Raman (SERR) and IR (SEIRA) spectro-electrochemistry has been applied concomitantly for the first time to analyse such iron hangman porphyrin complexes attached t...

The reaction between cytochrome c (Cc) and Rhodobacter sphaeroides cytochrome c oxidase (CcO) was studied using a cytochrome c derivative labeled with ruthenium trisbipyridine at lysine 55 (Ru-55-Cc). Flash photolysis of a 1:1 complex between Ru-55-Cc and CcO at low ionic strength results in electron transfer from photoreduced heme c to Cu(A) with an intracomplex rate constant of k(a) = 4 x 10(...

The formation of exciplexes ( non-emitting or poorly emitting ) is proposed as a cause of the deviations of the experimental data from the classical model of excited state electron transfer in polar solvents yielding radical ion pairs. Experimental evidences for the formation of such exciplexes are discussed. Simulation of the dependencies of the quenching rate constant vs. Gibbs energy of elec...